Summary

IMPPAT Phytochemical identifier: IMPHY006048

Phytochemical name: 2,4-Diaminophenol

Synonymous chemical names:
2,4-diaminophenol, diaminopropane

External chemical identifiers:
CID:7266, ChEMBL:CHEMBL2924225, ZINC:ZINC000000388490, FDASRS:H691WBT7OS, SureChEMBL:SCHEMBL27284, MolPort-006-110-475

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Chemical structure information

SMILES:
Nc1ccc(c(c1)N)O

InChI:
InChI=1S/C6H8N2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H,7-8H2

InChIKey:
XIWMTQIUUWJNRP-UHFFFAOYSA-N

DeepSMILES:
Ncccccc6)N))O

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: Aniline and substituted anilines

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

NP Classifier Superclass: Small peptides

NP Classifier Class: Aminoacids

NP-Likeness score: 0.382

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Chemical structure download