Summary

IMPPAT Phytochemical identifier: IMPHY013822

Phytochemical name: 2-(Aminomethyl)phenol

Synonymous chemical names:
2-hydroxybenzylamine

External chemical identifiers:
CID:70267, ChEMBL:CHEMBL155572, ZINC:ZINC000000153936, FDASRS:696R5N4NRM, SureChEMBL:SCHEMBL110156, MolPort-000-159-445

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Chemical structure information

SMILES:
NCc1ccccc1O

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

InChIKey:
KPRZOPQOBJRYSW-UHFFFAOYSA-N

DeepSMILES:
NCcccccc6O

Functional groups:
CN, cO

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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: Amino acids and Peptides, Shikimates and Phenylpropanoids

NP Classifier Superclass: Small peptides

NP Classifier Class: Aminoacids

NP-Likeness score: 0.413

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Chemical structure download