2-Amino-1-phenylethanol

Details

• Internal ID: 2beda1ae-5aae-44a3-8824-bdf035b275c5
• Taxonomy: Organic nitrogen compounds > Organonitrogen compounds > Amines > Aralkylamines
• IUPAC Name: 2-amino-1-phenylethanol
• SMILES (Canonical): C1=CC=C(C=C1)C(CN)O
• SMILES (Isomeric): C1=CC=C(C=C1)C(CN)O
• InChI: InChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2
• InChI Key: ULSIYEODSMZIPX-UHFFFAOYSA-N
• Popularity: 950 references in papers

Physical and Chemical Properties

• Molecular Formula: C₈H₁₁NO
• Molecular Weight: 137.18 g/mol
• Exact Mass: 137.084063974 g/mol
• Topological Polar Surface Area (TPSA): 46.20 Ų
• XlogP: 0.10

Synonyms

• phenylethanolamine
• 7568-93-6
• 2-Hydroxy-2-phenylethylamine
• Bisnorephedrine
• Phenethanolamine
• 2-Phenyl-2-hydroxyethylamine
• 2-Hydroxyphenethylamine
• beta-Hydroxyphenethylamine
• alpha-(Aminomethyl)benzyl alcohol
• beta-Phenethanolamine
• 2-amino-1-phenylethan-1-ol
• 2-Amino-1-phenyl-1-ethanol
• Phenylethanolamin
• Ethanol, 2-amino-1-phenyl-
• beta-Hydroxy-beta-phenylethylamine
• .beta.-Phenethanolamine
• (+-)-Phenylethanolamine
• (RS)-2-Amino-1-phenylethanol
• (+-)-alpha-Phenylglycinol
• Benzenemethanol, .alpha.-(aminomethyl)-
• .beta.-Hydroxyphenethylamine
• DL-Phenylethanolamine
• .beta.-Hydroxyphenylethylamine
• Phenethylamine, beta-hydroxy-
• apophedrin
• Benzeneethanamine, beta-hydroxy-
• 1-phenyl-2-aminoethanol
• .beta.-Phenylethanolamine
• DL-beta-HYDROXYPHENETHYLAMINE
• Benzeneethanamine, .beta.-hydroxy-
• NSC 5021
• .alpha.-(Aminomethyl)benzyl alcohol
• MFCD00008137
• NSC 46837
• Ethylamine, beta-hydroxy-beta-phenyl-
• .beta.-Hydroxy-.beta.-phenylethylamine
• (+-)-alpha-(Aminomethyl)benzenemethanol
• beta-Phenylethanolamine
• Phenethylamine, .beta.-hydroxy-
• dl-1-Phenyl-1-oxy-2-amino-aethan [German]
• Benzyl alcohol, alpha-(aminomethyl)-, (+-)-
• EINECS 231-469-1
• 1936-63-6
• Benzyl alcohol, alpha-(aminomethyl)-
• (+/-)-Phenylethanolamine
• 2-Amino-1-phenyl-ethanol
• Benzenemethanol, alpha-(aminomethyl)-
• bisnorephedrin
• BRN 0971222
• dl-2-Amino-1-phenylethanol
• norphedrin
• Benzyl alcohol, .alpha.-(aminomethyl)-
• rac-2-amino-1-phenylethanol
• Ethylamine, .beta.-hydroxy-.beta.-phenyl-
• UNII-2P4Y56479O
• CHEBI:16343
• alpha-(aminomethyl)benzenemethanol
• (+/-)-2-amino-1-phenylethanol
• S-(+)-2-Amino-1-phenylethanol
• NSC-5021
• dl-1-Phenyl-1-oxy-2-amino-aethan
• MFCD00239405
• NSC-46837
• rac-(1R*)-1-Phenyl-2-aminoethanol
• 2P4Y56479O
• Benzenemethanol, alpha-(aminomethyl)- (VAN)
• Benzyl alcohol, alpha-(aminomethyl)- (VAN)
• WLN: Z1YQR
• 4-13-00-01801 (Beilstein Handbook Reference)
• 2-AMINO-1-PHENYLETHANOL HCL
• Benzenemethanol, .alpha.-(aminomethyl)- (VA
• (S)-(-)-2-Phenylglycinol
• Benzenemethanol,
• (1R)-2-amino-1-phenylethan-1-ol
• Benzyl alcohol, .alpha.-(aminomethyl)-, hydrochloride
• Benzenemethanol, .alpha.-(aminomethyl)-, hydrochloride
• 1-phenylethanolamine
• H-DL-Phg-ol
• b-Hydroxyphenethylamine
• 2amino-1-phenylethanol
• 2-amino-1-phenyl ethanol
• beta-hydroxy-Phenethylamine
• bmse000307
• beta-hydroxy-phenethyl-amine
• SCHEMBL2021
• 2-Amino-1-phenylethanol-1
• Oprea1_790333
• 2-hydroxy-2-phenylethanamine
• a-(aminomethyl)benzyl alcohol
• (S)-2-Amino-1-phenylethanol;(S)-(+)-2-Amino-1-phenylethanol
• (.+/-.)-Phenylethanolamine
• CHEMBL19216
• 2-hydroxy-2-phenyl ethanamine
• 2-hydroxy-2-phenyl-ethylamine
• 2-Hydroxy-2-phenyl ethylamine
• PHENYLETHANOLAMINE [MI]
• DL-A-phenyl-b-hydroxyethylamine
• NIOSH/DN5520000
• NIOSH/DN5530000
• (1rs)-2-amino-1-phenylethanol
• 2-Amino-1-phenylethanol, 98%
• BDBM13015
• (1RS)-2-amino-1-phenyleihanol
• DTXSID10864094
• NSC5021
• alpha-(aminomethyl)-benzyl alcohol
• (2-hydroxy-2-phenyl-ethyl)-amine
• beta-hydroxy-beta-phenyl-Ethylamine
• d-1-Phenyl-1-oxy-2-amino-aethan
• l-1-Phenyl-1-oxy-2-amino-aethan
• CS-B0721
• NSC46837
• (+/-)-1-PHENYLETHANOLAMINE
• BBL104344
• dl-beta-Phenyl-beta-hydroxyethylamine
• s3135
• STK399775
• (RS)-2-AMINO-1-PHENYLETHANO
• AKOS003790979
• (+)-alpha-(Aminomethyl)benzyl alcohol
• (-)-alpha-(Aminomethyl)benzyl alcohol
• PB48014
• PB48015
• (+/-)-.ALPHA.-PHENYLGLYCINOL
• DL-.BETA.-HYDROXYPHENYLETHYLAMINE
• 1-PHENYL-1-HYDROXY-2-AMINOETHANE
• AS-38454
• Benzenemethanol, .alpha.- (aminomethyl)-
• Benzyl alcohol, .alpha.- (aminomethyl)-
• BP-10077
• HY-59132
• LS-42668
• LS-42669
• LS-42670
• Racemic alpha-(aminomethyl)benzenemethanol
• SY009089
• SY013940
• SY042533
• Benzenemethanol, alpha-(aminomethyl)-, d-
• Benzenemethanol, alpha-(aminomethyl)-, l-
• dl-.beta.-Phenyl-.beta.-hydroxyethylamine
• .ALPHA.-(AMINOMETHYL)BENZENEMETHANOL
• (+/-)-.BETA.-HYDROXYPHENETHYLAMINE
• 4,5-dimethyl-9H-xanthene-9-carboxylic acid
• A1018
• A9620
• AM20060775
• d-1-Phenyl-1-oxy-2-amino-aethan [German]
• DN55200000
• DN55300000
• FT-0601946
• FT-0602666
• FT-0611013
• l-1-Phenyl-1-oxy-2-amino-aethan [German]
• Benzyl alcohol, alpha-(aminomethyl)-, (+)-
• Benzyl alcohol, alpha-(aminomethyl)-, (-)-
• EN300-19918
• A-7000
• C02735
• DL-.BETA.-HYDROXY-.BETA.-PHENETHYLAMINE
• Benzenemethanol, alpha-(aminomethyl)- (VAN) (9CI)
• Benzyl alcohol, alpha-(aminomethyl)- (VAN) (8CI)
• Q7181429
• F0001-1913
• Z104476088
• alpha-(Aminomethyl)benzyl alcohol, DL-beta-Hydroxyphenethylamine, Phenylethanolamine

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	95.11%	94.62%
CHEMBL221	P23219	Cyclooxygenase-1	94.20%	90.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.92%	96.09%
CHEMBL3902	P09211	Glutathione S-transferase Pi	93.52%	93.81%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.99%	91.11%
CHEMBL1821	P08173	Muscarinic acetylcholine receptor M4	87.70%	94.08%
CHEMBL2581	P07339	Cathepsin D	86.99%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.17%	95.56%
CHEMBL3492	P49721	Proteasome Macropain subunit	80.71%	90.24%

Plants that contains it

• Peucedanum palustre
• Pogostemon cablin
• Reseda luteola

Cross-Links

• PubChem: 1000
• NPASS: NPC136407
• LOTUS: LTS0171045
• wikiData: Q7181429