Summary

IMPPAT Phytochemical identifier: IMPHY012081

Phytochemical name: N,N-Dimethylbenzylamine

Synonymous chemical names:
benzyldimethylamine, n,n-dimethylbenzylamine

External chemical identifiers:
CID:7681, ChEMBL:CHEMBL45591, ZINC:ZINC000001680865, FDASRS:TYP7AXQ1YJ, SureChEMBL:SCHEMBL15900, MolPort-001-790-236

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Chemical structure information

SMILES:
CN(Cc1ccccc1)C

InChI:
InChI=1S/C9H13N/c1-10(2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3

InChIKey:
XXBDWLFCJWSEKW-UHFFFAOYSA-N

DeepSMILES:
CNCcccccc6)))))))C

Functional groups:
CN(C)C

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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: Alkaloids

NP Classifier Superclass: Pseudoalkaloids

NP Classifier Class: Phenylalanine-derived alkaloids

NP-Likeness score: -1.235

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Chemical structure download