2-chloro-4,6-dimethyl-1-(2-methylpropyl)indole-3-carbonitrile

C15H17ClN2 — CID 82269156

IUPAC2-chloro-4,6-dimethyl-1-(2-methylpropyl)indole-3-carbonitrile
SMILESCc1cc(C)c2c(C#N)c(Cl)n(CC(C)C)c2c1
InChIInChI=1S/C15H17ClN2/c1-9(2)8-18-13-6-10(3)5-11(4)14(13)12(7-17)15(18)16/h5-6,9H,8H2,1-4H3
InChIKeyJNMZBOUZUFMDIW-UHFFFAOYSA-N
MW260.77 g/mol
LogP4.44
Rot. Bonds2

About 2-chloro-4,6-dimethyl-1-(2-methylpropyl)indole-3-carbonitrile

2-chloro-4,6-dimethyl-1-(2-methylpropyl)indole-3-carbonitrile (PubChem CID 82269156) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 2-chloro-4,6-dimethyl-1-(2-methylpropyl)indole-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-4,6-dimethyl-1-(2-methylpropyl)indole-3-carbonitrile
PubChem CID82269156
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name2-chloro-4,6-dimethyl-1-(2-methylpropyl)indole-3-carbonitrile
SMILESCc1cc(C)c2c(C#N)c(Cl)n(CC(C)C)c2c1
InChIInChI=1S/C15H17ClN2/c1-9(2)8-18-13-6-10(3)5-11(4)14(13)12(7-17)15(18)16/h5-6,9H,8H2,1-4H3
InChIKeyJNMZBOUZUFMDIW-UHFFFAOYSA-N
XLogP4.44
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-chloro-4,6-dimethyl-1-(2-methylpropyl)indole-3-carbonitrile 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

2-chloro-5,7-dimethyl-1-[(4-methylphenyl)methyl]indole-3-carbonitrile
CID 82269060
1,4,5,7-tetramethyl-2-oxoquinoline-3-carbonitrile
CID 84625068
2-chloro-1-(2-methoxyethyl)-5,6-dimethylindole-3-carbonitrile
CID 82269111
2,7-dimethyl-9-(2-methylpropyl)carbazole
CID 130182520
2-chloro-1,6-dimethylindole-3-carbonitrile
CID 82269620
(E)-3-[2-chloro-6-methyl-1-(2-methylpropyl)indol-3-yl]-2-methylprop-2-enoic acid
CID 82269647
2-chloro-6,7-dimethyl-1-propylindole-3-carbonitrile
CID 82268977
2-chloro-1-[(4-fluorophenyl)methyl]-5-methylindole-3-carbonitrile
CID 82268508
2-chloro-5-ethyl-1-propylindole-3-carbonitrile
CID 82268545
6-hydroxy-4-methyl-5-(3-methylbenzoyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
CID 19116003
2,4,6-trimethyl-1-benzothiophene-3-carbonitrile
CID 84739761
2-chloro-1-(2-methoxyethyl)-4,6-dimethylindole-3-carbaldehyde
CID 82269167

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-dimethyl-1-(2-methylpropyl)indole-3-carbonitrile?
The IUPAC name of 2-chloro-4,6-dimethyl-1-(2-methylpropyl)indole-3-carbonitrile (CID 82269156) is 2-chloro-4,6-dimethyl-1-(2-methylpropyl)indole-3-carbonitrile.
What is the SMILES notation for 2-chloro-4,6-dimethyl-1-(2-methylpropyl)indole-3-carbonitrile?
The canonical SMILES for 2-chloro-4,6-dimethyl-1-(2-methylpropyl)indole-3-carbonitrile is Cc1cc(C)c2c(C#N)c(Cl)n(CC(C)C)c2c1.
What is the InChIKey of 2-chloro-4,6-dimethyl-1-(2-methylpropyl)indole-3-carbonitrile?
The InChIKey is JNMZBOUZUFMDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-9(2)8-18-13-6-10(3)5-11(4)14(13)12(7-17)15(18)16/h5-6,9H,8H2,1-4H3.
What are the key properties of 2-chloro-4,6-dimethyl-1-(2-methylpropyl)indole-3-carbonitrile?
2-chloro-4,6-dimethyl-1-(2-methylpropyl)indole-3-carbonitrile has a molecular weight of 260.77 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-dimethyl-1-(2-methylpropyl)indole-3-carbonitrile is sourced from PubChem (CID 82269156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).