Summary

IMPPAT Phytochemical identifier: IMPHY000877

Phytochemical name: (1H-Indol-3-yl)methanamine

Synonymous chemical names:
1h-indole-3-methanamine

External chemical identifiers:
CID:472107, ChEMBL:CHEMBL6509, ChEBI:65009, ZINC:ZINC000000152322, SureChEMBL:SCHEMBL701395, MolPort-000-001-261

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Chemical structure information

SMILES:
NCc1c[nH]c2c1cccc2

InChI:
InChI=1S/C9H10N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5,10H2

InChIKey:
JXYGLMATGAAIBU-UHFFFAOYSA-N

DeepSMILES:
NCcc[nH]cc5cccc6

Functional groups:
CN, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2[nH]ccc2c1

Scaffold Graph/Node level:
C1CCC2NCCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indoles and derivatives

ClassyFire Subclass: Indoles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Simple indole alkaloids

NP-Likeness score: -0.152

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Chemical structure download