4-Methoxyphenethylamine

Details

• Internal ID: f1ffade4-361c-49ef-8e95-90b46d7f6cb9
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Phenethylamines
• IUPAC Name: 2-(4-methoxyphenyl)ethanamine
• SMILES (Canonical): COC1=CC=C(C=C1)CCN
• SMILES (Isomeric): COC1=CC=C(C=C1)CCN
• InChI: InChI=1S/C9H13NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7,10H2,1H3
• InChI Key: LTPVSOCPYWDIFU-UHFFFAOYSA-N
• Popularity: 115 references in papers

Physical and Chemical Properties

• Molecular Formula: C₉H₁₃NO
• Molecular Weight: 151.21 g/mol
• Exact Mass: 151.099714038 g/mol
• Topological Polar Surface Area (TPSA): 35.20 Ų
• XlogP: 1.60

Synonyms

• 55-81-2
• 2-(4-Methoxyphenyl)ethylamine
• 2-(4-Methoxyphenyl)ethanamine
• Homoanisylamine
• p-Methoxyphenethylamine
• 4-Methoxyphenylethylamine
• 4-Methoxybenzeneethanamine
• O-Methyltyramine
• Benzeneethanamine, 4-methoxy-
• P-METHOXYPHENYLETHYLAMINE
• 4-Methoxy-2-phenethylamine
• 2-(p-Methoxyphenyl)ethylamine
• Tyramine, O-methyl-
• 4-Methoxy-beta-phenylethylamine
• USAF EL-52
• 2-(4-Methoxyphenyl)Ethan-1-Amine
• PHENETHYLAMINE, p-METHOXY-
• 2-(4-Methoxy-phenyl)-ethylamine
• NSC 43687
• 4-Methoxyphenethyl amine
• EINECS 200-245-5
• UNII-UCE8P23XWF
• UCE8P23XWF
• BRN 0508967
• CHEMBL101036
• 2-(4-methoxyphenyl) ethylamine
• CHEBI:266039
• 4-Methoxy-.beta.-phenylethylamine
• MFCD00008192
• NSC-43687
• 4-13-00-01789 (Beilstein Handbook Reference)
• MOPEA
• p-methoxyphenethylamin
• p-methoxyphenethyl amine
• 4-methoxyphenethyl-amine
• 4-Methoxy-phenethylamine
• 4-methoxybenzenethanamine
• para-methoxyphenethylamine
• 4-methoxylphenylethylamine
• 4-Methoxybenzylmethylamine
• 4-(2-Aminoethyl)anisole
• 4-methoxyphenylethyl amine
• para-Methoxyphenylethylamine
• 4-Methoxy-benzeneethanamine
• SCHEMBL4634
• WLN: Z2R DO1
• 4-methoxy-2-phenylethylamine
• 2-(4-methoxyphenyl)ethaneamine
• SCHEMBL4779445
• 2-( 4-methoxyphenyl)ethylamine
• 2-(4-methoxy-phenyl)ethylamine
• 2-(4-methoxyphenyl)-ethylamine
• DTXSID6058764
• 2-(4-Methoxyphenyl)ethanamine #
• 4-Methoxyphenethylamine, >=98%
• 2-(4-methoxy-phenyl)-ethyl-amine
• AMY41549
• NSC43687
• STR05874
• BBL027694
• BDBM50240697
• STL371947
• {2-[4-(methyloxy)phenyl]ethyl}amine
• AKOS000119749
• NCGC00163353-01
• LS-103559
• A8057
• FT-0618946
• M0795
• EN300-20025
• 10.14272/LTPVSOCPYWDIFU-UHFFFAOYSA-N.1
• A830820
• doi:10.14272/LTPVSOCPYWDIFU-UHFFFAOYSA-N.1
• W-105546
• Q27225715
• F2190-0399
• Z104476454
• 2-(4-methoxyphenyl)ethylammonium;2-(4-METHOXY-PHENYL)-ETHYLAMINE
• InChI=1/C9H13NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7,10H2,1H
• ZHH

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL5857	Q96RJ0	Trace amine-associated receptor 1	5980 nM	EC50	PMID: 18602830

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.48%	96.09%
CHEMBL3492	P49721	Proteasome Macropain subunit	95.45%	90.24%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	91.90%	91.11%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	88.43%	94.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.49%	95.56%
CHEMBL4581	P52732	Kinesin-like protein 1	86.32%	93.18%
CHEMBL3060	Q9Y345	Glycine transporter 2	86.06%	99.17%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.86%	86.33%
CHEMBL4208	P20618	Proteasome component C5	85.15%	90.00%
CHEMBL1907	P15144	Aminopeptidase N	85.09%	93.31%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	84.76%	94.45%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	84.16%	96.95%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	83.34%	96.00%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	83.14%	95.50%
CHEMBL5608	Q16288	NT-3 growth factor receptor	82.99%	95.89%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	82.19%	86.92%
CHEMBL3820	P35557	Hexokinase type IV	80.44%	91.96%

Plants that contains it

• Aniba riparia
• Rosmarinus officinalis
• Taraxacum mongolicum

Cross-Links

• PubChem: 4657
• NPASS: NPC42383
• ChEMBL: CHEMBL101036
• LOTUS: LTS0031337
• wikiData: Q27225715