2-(4-chlorophenyl)-7-propan-2-yl-2,3-dihydro-1H-indole

C17H18ClN — CID 3430415

IUPAC2-(4-chlorophenyl)-7-propan-2-yl-2,3-dihydro-1H-indole
SMILESCC(C)c1cccc2c1NC(c1ccc(Cl)cc1)C2
InChIInChI=1S/C17H18ClN/c1-11(2)15-5-3-4-13-10-16(19-17(13)15)12-6-8-14(18)9-7-12/h3-9,11,16,19H,10H2,1-2H3
InChIKeyJHLUGRYNLPMUDF-UHFFFAOYSA-N
MW271.79 g/mol
LogP5.17
Rot. Bonds2

About 2-(4-chlorophenyl)-7-propan-2-yl-2,3-dihydro-1H-indole

2-(4-chlorophenyl)-7-propan-2-yl-2,3-dihydro-1H-indole (PubChem CID 3430415) has the molecular formula C17H18ClN and a molecular weight of 271.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-7-propan-2-yl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-7-propan-2-yl-2,3-dihydro-1H-indole
PubChem CID3430415
Molecular FormulaC17H18ClN
Molecular Weight271.79 g/mol
Exact Mass271.11
IUPAC Name2-(4-chlorophenyl)-7-propan-2-yl-2,3-dihydro-1H-indole
SMILESCC(C)c1cccc2c1NC(c1ccc(Cl)cc1)C2
InChIInChI=1S/C17H18ClN/c1-11(2)15-5-3-4-13-10-16(19-17(13)15)12-6-8-14(18)9-7-12/h3-9,11,16,19H,10H2,1-2H3
InChIKeyJHLUGRYNLPMUDF-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.79
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-methoxy-3-methylphenyl)-7-propan-2-yl-2,3-dihydro-1H-indole
CID 3403694
7-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
CID 3269433
2-methyl-7-propan-2-yl-2,3-dihydro-1H-indole
CID 82276811
7-propan-2-yl-2-thiophen-2-yl-2,3-dihydro-1H-indole
CID 4556277
(2S)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole
CID 7047714
(2R)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole
CID 7047713
2-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole
CID 3552722
2-(3,4-dimethylphenyl)-7-methyl-2,3-dihydro-1H-indole
CID 3984068
4-(4-chlorophenyl)-6-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17239425
(4S)-4-(4-chlorophenyl)azetidine-2-thione
CID 102306093
2-(3,4-dichlorophenyl)-7-ethyl-2,3-dihydro-1H-indole
CID 3345458
2-(4-methoxy-3-methylphenyl)-7-methyl-2,3-dihydro-1H-indole
CID 5224986

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-7-propan-2-yl-2,3-dihydro-1H-indole?
The IUPAC name of 2-(4-chlorophenyl)-7-propan-2-yl-2,3-dihydro-1H-indole (CID 3430415) is 2-(4-chlorophenyl)-7-propan-2-yl-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(4-chlorophenyl)-7-propan-2-yl-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(4-chlorophenyl)-7-propan-2-yl-2,3-dihydro-1H-indole is CC(C)c1cccc2c1NC(c1ccc(Cl)cc1)C2.
What is the InChIKey of 2-(4-chlorophenyl)-7-propan-2-yl-2,3-dihydro-1H-indole?
The InChIKey is JHLUGRYNLPMUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN/c1-11(2)15-5-3-4-13-10-16(19-17(13)15)12-6-8-14(18)9-7-12/h3-9,11,16,19H,10H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-7-propan-2-yl-2,3-dihydro-1H-indole?
2-(4-chlorophenyl)-7-propan-2-yl-2,3-dihydro-1H-indole has a molecular weight of 271.79 g/mol, XLogP of 5.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-7-propan-2-yl-2,3-dihydro-1H-indole is sourced from PubChem (CID 3430415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).