2-(4-tert-butylphenyl)-6-chloro-7-methyl-2,3-dihydro-1H-indole

C19H22ClN — CID 3586374

IUPAC2-(4-tert-butylphenyl)-6-chloro-7-methyl-2,3-dihydro-1H-indole
SMILESCc1c(Cl)ccc2c1NC(c1ccc(C(C)(C)C)cc1)C2
InChIInChI=1S/C19H22ClN/c1-12-16(20)10-7-14-11-17(21-18(12)14)13-5-8-15(9-6-13)19(2,3)4/h5-10,17,21H,11H2,1-4H3
InChIKeyZNVWUPRPFMCUOO-UHFFFAOYSA-N
MW299.85 g/mol
LogP5.66
Rot. Bonds1

About 2-(4-tert-butylphenyl)-6-chloro-7-methyl-2,3-dihydro-1H-indole

2-(4-tert-butylphenyl)-6-chloro-7-methyl-2,3-dihydro-1H-indole (PubChem CID 3586374) has the molecular formula C19H22ClN and a molecular weight of 299.85 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-6-chloro-7-methyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-6-chloro-7-methyl-2,3-dihydro-1H-indole
PubChem CID3586374
Molecular FormulaC19H22ClN
Molecular Weight299.85 g/mol
Exact Mass299.14
IUPAC Name2-(4-tert-butylphenyl)-6-chloro-7-methyl-2,3-dihydro-1H-indole
SMILESCc1c(Cl)ccc2c1NC(c1ccc(C(C)(C)C)cc1)C2
InChIInChI=1S/C19H22ClN/c1-12-16(20)10-7-14-11-17(21-18(12)14)13-5-8-15(9-6-13)19(2,3)4/h5-10,17,21H,11H2,1-4H3
InChIKeyZNVWUPRPFMCUOO-UHFFFAOYSA-N
XLogP5.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.85
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-tert-butylphenyl)-6-chloro-7-methyl-2,3-dihydro-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-2-(4-ethylphenyl)-7-methyl-2,3-dihydro-1H-indole
CID 4017058
6-chloro-2-(3,4-difluorophenyl)-7-methyl-2,3-dihydro-1H-indole
CID 4666905
2-tert-butyl-6-chloro-7-methyl-2,3-dihydro-1H-indole
CID 4575819
6-chloro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole
CID 3618708
6-chloro-2-(5-chloro-2-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole
CID 3427840
(6-chloro-7-methyl-2,3-dihydro-1H-indol-2-yl)methanamine
CID 83868562
6-chloro-2-(2-ethoxyphenyl)-7-methyl-2,3-dihydro-1H-indole
CID 4030559
5-tert-butyl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole
CID 5176220
2-(4-tert-butylphenyl)-5-ethyl-2,3-dihydro-1H-indole
CID 5134941
(2S,4R)-8-chloro-2-ethynyl-9-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol
CID 155815957
2-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole
CID 3552722
5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
CID 4984250

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-6-chloro-7-methyl-2,3-dihydro-1H-indole?
The IUPAC name of 2-(4-tert-butylphenyl)-6-chloro-7-methyl-2,3-dihydro-1H-indole (CID 3586374) is 2-(4-tert-butylphenyl)-6-chloro-7-methyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(4-tert-butylphenyl)-6-chloro-7-methyl-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(4-tert-butylphenyl)-6-chloro-7-methyl-2,3-dihydro-1H-indole is Cc1c(Cl)ccc2c1NC(c1ccc(C(C)(C)C)cc1)C2.
What is the InChIKey of 2-(4-tert-butylphenyl)-6-chloro-7-methyl-2,3-dihydro-1H-indole?
The InChIKey is ZNVWUPRPFMCUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN/c1-12-16(20)10-7-14-11-17(21-18(12)14)13-5-8-15(9-6-13)19(2,3)4/h5-10,17,21H,11H2,1-4H3.
What are the key properties of 2-(4-tert-butylphenyl)-6-chloro-7-methyl-2,3-dihydro-1H-indole?
2-(4-tert-butylphenyl)-6-chloro-7-methyl-2,3-dihydro-1H-indole has a molecular weight of 299.85 g/mol, XLogP of 5.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-6-chloro-7-methyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 3586374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).