Summary

IMPPAT Phytochemical identifier: IMPHY016217

Phytochemical name: 2-(Methylamino)benzaldehyde

Synonymous chemical names:
2-(methylamino)benzaldehyde

External chemical identifiers:
CID:267569, ZINC:ZINC000001698102, SureChEMBL:SCHEMBL874034, MolPort-022-365-890

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Chemical structure information

SMILES:
O=Cc1ccccc1NC

InChI:
InChI=1S/C8H9NO/c1-9-8-5-3-2-4-7(8)6-10/h2-6,9H,1H3

InChIKey:
LIZGLUQDMOJDMM-UHFFFAOYSA-N

DeepSMILES:
O=Ccccccc6NC

Functional groups:
cC=O, 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: Benzoyl derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Anthranilic acid alkaloids

NP-Likeness score: -0.341

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Chemical structure download