7-isopropyl-1,2-dimethyl-1H-indole

HCID 68858142

Notes Reactions

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Basic information

CAS: 912332-43-5
Standard SMILES: Cc1cc2cccc(C(C)C)c2n1C
InChIKey: HKLSJINCAPGVRX-UHFFFAOYSA-N
Molecular formula: C13H17N
Average molar mass: 187.28 g/mol
Monoisotopic mass: 187.13609954

Names & identifiers

Preferred name: 7-isopropyl-1,2-dimethyl-1H-indole
IUPAC: 1,2-dimethyl-7-propan-2-ylindole

Names & synonyms

SCHEMBL3967613HKLSJINCAPGVRX-UHFFFAOYSA-NDTXSID5012741167-isopropyl-1,2-dimethyl-1H-indole1,2-Dimethyl-7-(propan-2-yl)-1H-indole1,2-Dimethyl-7-(1-methylethyl)-1H-indole912332-43-5

Database identifiers

CAS: 912332-43-5
PubChem CID: 68858142
DTXSID: DTXSID501274116

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 4.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 199

Related reactions

3 records

New reaction record

HRID 226088As productuspto-grants-2009_07

HRID 226089As reactantuspto-grants-2009_07

HRID 2149222As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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