Phenacylamine

Details

• Internal ID: 4961bf50-4b6e-43a5-a636-22188e775d26
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones
• IUPAC Name: 2-amino-1-phenylethanone
• InChI: InChI=1S/C8H9NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6,9H2
• InChI Key: HEQOJEGTZCTHCF-UHFFFAOYSA-N
• Popularity: 452 references in papers

Physical and Chemical Properties

• Molecular Formula: C₈H₉NO
• Molecular Weight: 135.16 g/mol
• Exact Mass: 135.068413911 g/mol
• Topological Polar Surface Area (TPSA): 43.10 Ų
• XlogP: 0.80

Synonyms

• 613-89-8
• Phenacylamine
• 2-Amino-1-phenylethanone
• 2-Amino-1-phenylethan-1-one
• 2-Aminoecetophenone
• Ethanone, 2-amino-1-phenyl-
• 2-amino-1-phenyl-ethanone
• alpha-Aminoactophenone
• alpha-Aminoacetophenone
• alpha-Demethylcathinone
• omega-Aminoacetophenone
• ACETOPHENONE, 2-AMINO-
• .omega.-Aminoacetophenone
• 1-Phenyl-2-aminoethanone
• 4M571C83H7
• MLS002207080
• |A-Aminoacetophenone
• 2-amino acetophenone
• 2-amino-1-phenylethanone;hydrochloride
• SMR001306710
• EINECS 210-358-1
• BRN 0507952
• Phenomydrol
• aminoacetophenone
• Benzoylmethylamine
• UNII-4M571C83H7
• amino acetophenone
• 2-oxophenethylamine
• 2amino-acetophenone
• 2-Amino-acetophenone
• Spectrum_001806
• Spectrum2_001993
• Spectrum3_001033
• Spectrum4_001167
• Spectrum5_001836
• 2-amino-1phenyl-ethanone
• 2-oxo-2-phenylethanamine
• 2-oxo-2-phenylethylamine
• PHENACYLAMINE [MI]
• 2-amino-1 phenyl-ethanone
• 2-AAP
• 2-oxo-2-phenyl-ethyl-amine
• SCHEMBL45515
• 2-Amino-1-phenylethanone #
• BSPBio_002845
• KBioGR_001773
• KBioSS_002299
• 4-14-00-00114 (Beilstein Handbook Reference)
• SPBio_002205
• CHEMBL128079
• SCHEMBL9855165
• .ALPHA.-AMINOACETOPHENONE
• .ALPHA.-DEMETHYLCATHINONE
• 2-Amino-1-phenylethanone, 9CI
• BDBM96824
• cid_2723597
• KBio2_002297
• KBio2_004865
• KBio2_007433
• KBio3_002065
• DTXSID80210206
• CHEBI:104022
• (2-OXO-2-PHENYLETHYL)AMINE
• ACETOPHENONE, .ALPHA.-AMINO-
• AKOS004114654
• SDCCGMLS-0066907.P001
• 2-amino-1-phenyl-ethanone;hydrochloride
• 2-azanyl-1-phenyl-ethanone;hydrochloride
• NCGC00178437-01
• NCGC00178437-02
• AC-22359
• BP-21393
• A8514
• FT-0646389
• 2-amino-1-phenylethanone;Phe-Met-OMehydrochloride
• BRD-K61831307-003-02-1
• Q27181279

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
CHEMBL221	P23219	Cyclooxygenase-1	94.67%	90.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.75%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	88.72%	86.33%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	84.39%	96.09%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	81.93%	100.00%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	80.56%	94.62%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 11952
• LOTUS: LTS0085631
• wikiData: Q27181279