Summary

IMPPAT Phytochemical identifier: IMPHY000521

Phytochemical name: Phenethylamine

Synonymous chemical names:
beta-phenethylamine, phenethylamine, β-phenylethylamine

External chemical identifiers:
CID:1001, ChEMBL:CHEMBL610, ChEBI:18397, ZINC:ZINC000006579654, FDASRS:327C7L2BXQ, SureChEMBL:SCHEMBL968, MolPort-000-871-498

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Chemical structure information

SMILES:
NCCc1ccccc1

InChI:
InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2

InChIKey:
BHHGXPLMPWCGHP-UHFFFAOYSA-N

DeepSMILES:
NCCcccccc6

Functional groups:
CN

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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: 0.109

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Chemical structure download