Summary

IMPPAT Phytochemical identifier: IMPHY001836

Phytochemical name: N-Methylphenethylamine

Synonymous chemical names:
n-methyl-β-phenylethylamine, n-methylphenethylamine

External chemical identifiers:
CID:11503, ChEMBL:CHEMBL45763, ZINC:ZINC000001706738, FDASRS:02N4V81704, SureChEMBL:SCHEMBL1878

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Chemical structure information

SMILES:
CNCCc1ccccc1

InChI:
InChI=1S/C9H13N/c1-10-8-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3

InChIKey:
SASNBVQSOZSTPD-UHFFFAOYSA-N

DeepSMILES:
CNCCcccccc6

Functional groups:
CNC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Phenethylamines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Phenylethylamines

NP-Likeness score: 0.027

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Chemical structure download