Summary

IMPPAT Phytochemical identifier: IMPHY005763

Phytochemical name: 2-Aminobenzyl alcohol

Synonymous chemical names:
2-(2'-aminobenzylamino)-benzyl-alcohol, 2-amino-benzyl-alcohol, 2-aminobenzyl alcohol

External chemical identifiers:
CID:21439, ChEMBL:CHEMBL1235999, ZINC:ZINC000000331680, FDASRS:JK3AH3NG9C, SureChEMBL:SCHEMBL16252, MolPort-001-640-474

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Chemical structure information

SMILES:
OCc1ccccc1N

InChI:
InChI=1S/C7H9NO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5,8H2

InChIKey:
VYFOAVADNIHPTR-UHFFFAOYSA-N

DeepSMILES:
OCcccccc6N

Functional groups:
CO, 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: Benzyl alcohols

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

NP Classifier Superclass: Small peptides

NP Classifier Class: Aminoacids

NP-Likeness score: 0.35

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Chemical structure download