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

C17H24ClN — CID 106986426

IUPAC5-chloro-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole
SMILESCC1CC(C2CNc3ccc(Cl)cc32)CC(C)(C)C1
InChIInChI=1S/C17H24ClN/c1-11-6-12(9-17(2,3)8-11)15-10-19-16-5-4-13(18)7-14(15)16/h4-5,7,11-12,15,19H,6,8-10H2,1-3H3
InChIKeyITMDQWBBEONPEE-UHFFFAOYSA-N
MW277.84 g/mol
LogP5.31
Rot. Bonds1

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

5-chloro-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole (PubChem CID 106986426) has the molecular formula C17H24ClN and a molecular weight of 277.84 g/mol. Its IUPAC name is 5-chloro-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-chloro-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole
PubChem CID106986426
Molecular FormulaC17H24ClN
Molecular Weight277.84 g/mol
Exact Mass277.16
IUPAC Name5-chloro-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole
SMILESCC1CC(C2CNc3ccc(Cl)cc32)CC(C)(C)C1
InChIInChI=1S/C17H24ClN/c1-11-6-12(9-17(2,3)8-11)15-10-19-16-5-4-13(18)7-14(15)16/h4-5,7,11-12,15,19H,6,8-10H2,1-3H3
InChIKeyITMDQWBBEONPEE-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

5-nitro-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole
CID 106986424
3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole
CID 106820266
7-chloro-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole
CID 106986432
7-methoxy-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole
CID 106986429
(3R)-5-chloro-3-ethyl-2,3-dihydro-1H-indole
CID 95430825
3-cyclopropyl-5-methyl-2,3-dihydro-1H-indole
CID 106985758
2-(5-chloro-2,3-dihydro-1H-indol-3-yl)propan-2-ol
CID 117202115
2,5-dichloro-N-(3,3,5-trimethylcyclohexyl)aniline
CID 63418656
6-chloro-3-piperidin-4-yl-2,3-dihydro-1H-indole
CID 105498634
6-chloro-2,4-dimethyl-1,2,3,4-tetrahydroquinoline
CID 105449607
4-(6-chloro-3-methyl-1,2,3,4-tetrahydroquinolin-4-yl)morpholine
CID 82275757
2-(5-chloro-2,3-dihydro-1H-indol-3-yl)acetaldehyde
CID 112711571

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole?
The IUPAC name of 5-chloro-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole (CID 106986426) is 5-chloro-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-chloro-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-chloro-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole is CC1CC(C2CNc3ccc(Cl)cc32)CC(C)(C)C1.
What is the InChIKey of 5-chloro-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole?
The InChIKey is ITMDQWBBEONPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN/c1-11-6-12(9-17(2,3)8-11)15-10-19-16-5-4-13(18)7-14(15)16/h4-5,7,11-12,15,19H,6,8-10H2,1-3H3.
What are the key properties of 5-chloro-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole?
5-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 5-chloro-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 106986426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).