Summary

IMPPAT Phytochemical identifier: IMPHY009628

Phytochemical name: 2-(Methoxymethyl)aniline

Synonymous chemical names:
2-amino-benzyl-alcohol-o-methyl-ether

External chemical identifiers:
CID:12334306, ZINC:ZINC000013346815, SureChEMBL:SCHEMBL1720477, MolPort-004-320-147

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Chemical structure information

SMILES:
COCc1ccccc1N

InChI:
InChI=1S/C8H11NO/c1-10-6-7-4-2-3-5-8(7)9/h2-5H,6,9H2,1H3

InChIKey:
ZHERWZMAGGWSIX-UHFFFAOYSA-N

DeepSMILES:
COCcccccc6N

Functional groups:
COC, 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: Benzylethers

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: -0.277

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Chemical structure download