N-Methyl-1-phenylethylamine

Details

• Internal ID: 9d3342ee-748f-4c55-b1e1-ecb6adf921e3
• Taxonomy: Organic nitrogen compounds > Organonitrogen compounds > Amines > Aralkylamines
• IUPAC Name: N-methyl-1-phenylethanamine
• InChI: InChI=1S/C9H13N/c1-8(10-2)9-6-4-3-5-7-9/h3-8,10H,1-2H3
• InChI Key: RCSSHZGQHHEHPZ-UHFFFAOYSA-N
• Popularity: 23 references in papers

Physical and Chemical Properties

• Molecular Formula: C₉H₁₃N
• Molecular Weight: 135.21 g/mol
• Exact Mass: 135.104799419 g/mol
• Topological Polar Surface Area (TPSA): 12.00 Ų
• XlogP: 1.70

Synonyms

• 32512-24-6
• methyl(1-phenylethyl)amine
• N-methyl-1-phenylethylamine
• Mapea
• N-methyl-1-phenyl-ethanamine
• 8V1UF8Q1P1
• Methyl-(1-phenyl-ethyl)-amine
• Benzenemethanamine, N,.alpha.-dimethyl-
• N-METHYL-1-PHENETHYLAMINE
• N-methyl-N-(1-phenylethyl)amine
• MFCD00044966
• a,N-Dimethylbenzylamine
• methyl-a-phenylethylamine
• n,alpha-dimethylbenzylamine
• alpha,N-Dimethylbenzylamine
• UNII-8V1UF8Q1P1
• SCHEMBL21533
• N-Methyl-1-phenylethanamine #
• Benzylamine, N,alpha-dimethyl-
• SCHEMBL5258254
• N-methyl-alpha-methylbenzylamine
• RCSSHZGQHHEHPZ-UHFFFAOYSA-
• N,alpha-Dimethylbenzenemethanamine
• DTXSID901342325
• HMS1729H18
• .ALPHA.,N-DIMETHYLBENZYLAMINE
• MFCD00463429
• N,.ALPHA.-DIMETHYLBENZYLAMINE
• Benzenemethanamine, N,alpha-dimethyl-
• AKOS000264198
• AKOS017258973
• AB88727
• AB89392
• (S)-(-)-N, alpha -Dimethylbenzylamine
• NCGC00374121-01
• BENZYLAMINE, N,.ALPHA.-DIMETHYL-
• SY102074
• N,.ALPHA.-DIMETHYLBENZENEMETHANAMINE
• CS-0154090
• FT-0635912
• FT-0637795
• EN300-12191
• N-Methyl-N-(1-phenylethyl)amine, AldrichCPR
• D82152
• A813482
• Q27271054
• Z85917524
• InChI=1/C9H13N/c1-8(10-2)9-6-4-3-5-7-9/h3-8,10H,1-2H3

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	95.86%	90.17%
CHEMBL2581	P07339	Cathepsin D	93.27%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.54%	95.56%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	84.46%	94.62%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	84.18%	91.11%
CHEMBL1821	P08173	Muscarinic acetylcholine receptor M4	83.83%	94.08%
CHEMBL3401	O75469	Pregnane X receptor	82.91%	94.73%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	81.24%	96.09%

Plants that contains it

• Vachellia rigidula

Cross-Links

• PubChem: 577403
• LOTUS: LTS0176482
• wikiData: Q27271054