7-chloro-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole

C17H24ClN — CID 106986432

IUPAC7-chloro-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole
SMILESCC1CC(C2CNc3c(Cl)cccc32)CC(C)(C)C1
InChIInChI=1S/C17H24ClN/c1-11-7-12(9-17(2,3)8-11)14-10-19-16-13(14)5-4-6-15(16)18/h4-6,11-12,14,19H,7-10H2,1-3H3
InChIKeyXSFIFKSPWOGEQR-UHFFFAOYSA-N
MW277.84 g/mol
LogP5.31
Rot. Bonds1

About 7-chloro-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole

7-chloro-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole (PubChem CID 106986432) has the molecular formula C17H24ClN and a molecular weight of 277.84 g/mol. Its IUPAC name is 7-chloro-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-chloro-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole
PubChem CID106986432
Molecular FormulaC17H24ClN
Molecular Weight277.84 g/mol
Exact Mass277.16
IUPAC Name7-chloro-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole
SMILESCC1CC(C2CNc3c(Cl)cccc32)CC(C)(C)C1
InChIInChI=1S/C17H24ClN/c1-11-7-12(9-17(2,3)8-11)14-10-19-16-13(14)5-4-6-15(16)18/h4-6,11-12,14,19H,7-10H2,1-3H3
InChIKeyXSFIFKSPWOGEQR-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.84
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-methoxy-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole
CID 106986429
3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole
CID 106820266
5-chloro-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole
CID 106986426
5-nitro-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole
CID 106986424
7-chloro-3-(1-methylcyclohexyl)-2,3-dihydro-1H-indole
CID 106985936
7-chloro-3-propyl-2,3-dihydro-1H-indole
CID 106985714
7-chloro-3-(difluoromethyl)-2,3-dihydro-1H-indole
CID 84671899
7-chloro-3-pentan-3-yl-2,3-dihydro-1H-indole
CID 106985918
6-chloro-3-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine
CID 105356321
3-methyl-5-(3,3,5-trimethylcyclohexyl)piperidine
CID 165449953
7-chloro-3-(1-methylcyclohexyl)-1,3-dihydroindol-2-one
CID 106986742
4-(2-chlorophenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 82621815

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole?
The IUPAC name of 7-chloro-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole (CID 106986432) is 7-chloro-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-chloro-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 7-chloro-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole is CC1CC(C2CNc3c(Cl)cccc32)CC(C)(C)C1.
What is the InChIKey of 7-chloro-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole?
The InChIKey is XSFIFKSPWOGEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN/c1-11-7-12(9-17(2,3)8-11)14-10-19-16-13(14)5-4-6-15(16)18/h4-6,11-12,14,19H,7-10H2,1-3H3.
What are the key properties of 7-chloro-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole?
7-chloro-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole has a molecular weight of 277.84 g/mol, XLogP of 5.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 106986432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).