Summary

IMPPAT Phytochemical identifier: IMPHY017217

Phytochemical name: 1,2,2-Trimethyl-2,3-dihydro-indole

Synonymous chemical names:
trimethylindoline

External chemical identifiers:
CID:22266808, SureChEMBL:SCHEMBL1655895

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Chemical structure information

SMILES:
CN1c2ccccc2CC1(C)C

InChI:
InChI=1S/C11H15N/c1-11(2)8-9-6-4-5-7-10(9)12(11)3/h4-7H,8H2,1-3H3

InChIKey:
MCIDGHHVKNZHRD-UHFFFAOYSA-N

DeepSMILES:
CNcccccc6CC9C)C

Functional groups:
cN(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CCN2

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

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: -0.015

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Chemical structure download