Summary

IMPPAT Phytochemical identifier: IMPHY012079

Phytochemical name: N-methylaniline

Synonymous chemical names:
n-methylaniline

External chemical identifiers:
CID:7515, ChEMBL:CHEMBL170781, ChEBI:15733, ZINC:ZINC000000901343, FDASRS:TH45GK410O, SureChEMBL:SCHEMBL4454, MolPort-001-781-912

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Chemical structure information

SMILES:
CNc1ccccc1

InChI:
InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3

InChIKey:
AFBPFSWMIHJQDM-UHFFFAOYSA-N

DeepSMILES:
CNcccccc6

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: Organic nitrogen compounds

ClassyFire Class: Organonitrogen compounds

ClassyFire Subclass: Amines

NP Classifier Biosynthetic pathway: Alkaloids, Amino acids and Peptides, Shikimates and Phenylpropanoids

NP Classifier Superclass: Small peptides

NP Classifier Class: Aminoacids

NP-Likeness score: -0.477

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Chemical structure download