Summary

IMPPAT Phytochemical identifier: IMPHY008883

Phytochemical name: N-Methylbenzylamine

Synonymous chemical names:
benzylamine, methyl, n-methylbenzlamine

External chemical identifiers:
CID:7669, ChEMBL:CHEMBL1338, ZINC:ZINC000001090563, SureChEMBL:SCHEMBL2271, MolPort-000-935-437

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Chemical structure information

SMILES:
CNCc1ccccc1

InChI:
InChI=1S/C8H11N/c1-9-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3

InChIKey:
RIWRFSMVIUAEBX-UHFFFAOYSA-N

DeepSMILES:
CNCcccccc6

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: Phenylmethylamines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Pseudoalkaloids

NP Classifier Class: Phenylalanine-derived alkaloids

NP-Likeness score: -0.19

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Chemical structure download