3-(6-chloro-1,2-dimethylindol-3-yl)-3-methylbutan-1-amine

C15H21ClN2 — CID 84639811

IUPAC3-(6-chloro-1,2-dimethylindol-3-yl)-3-methylbutan-1-amine
SMILESCc1c(C(C)(C)CCN)c2ccc(Cl)cc2n1C
InChIInChI=1S/C15H21ClN2/c1-10-14(15(2,3)7-8-17)12-6-5-11(16)9-13(12)18(10)4/h5-6,9H,7-8,17H2,1-4H3
InChIKeyJUMWIOSCYKKZMW-UHFFFAOYSA-N
MW264.80 g/mol
LogP3.77
Rot. Bonds3

About 3-(6-chloro-1,2-dimethylindol-3-yl)-3-methylbutan-1-amine

3-(6-chloro-1,2-dimethylindol-3-yl)-3-methylbutan-1-amine (PubChem CID 84639811) has the molecular formula C15H21ClN2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 3-(6-chloro-1,2-dimethylindol-3-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name3-(6-chloro-1,2-dimethylindol-3-yl)-3-methylbutan-1-amine
PubChem CID84639811
Molecular FormulaC15H21ClN2
Molecular Weight264.80 g/mol
Exact Mass264.14
IUPAC Name3-(6-chloro-1,2-dimethylindol-3-yl)-3-methylbutan-1-amine
SMILESCc1c(C(C)(C)CCN)c2ccc(Cl)cc2n1C
InChIInChI=1S/C15H21ClN2/c1-10-14(15(2,3)7-8-17)12-6-5-11(16)9-13(12)18(10)4/h5-6,9H,7-8,17H2,1-4H3
InChIKeyJUMWIOSCYKKZMW-UHFFFAOYSA-N
XLogP3.77
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(6-chloro-1,2-dimethylindol-3-yl)-3-methylbutan-1-amine 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-(6-chloro-1,2-dimethylindol-3-yl)-N,2-dimethylpropan-1-amine
CID 84639810
3-(6-bromo-1,2-dimethylindol-3-yl)-3-methylbutan-1-amine
CID 84645259
3-(6-chloro-1,2-dimethylindol-3-yl)-3-methylbutanoic acid
CID 84642675
(6-chloro-1,2-dimethylindol-3-yl)methanamine
CID 82492537
(6-chloro-1,3-dimethylindol-2-yl)methanamine
CID 84621214
2-(6-bromo-1,2-dimethylindol-3-yl)-N,2-dimethylpropan-1-amine
CID 84645258
2-methyl-2-(1,2,5-trimethylindol-3-yl)propan-1-amine
CID 82495217
2,6-dichloro-1,3-dimethylindole
CID 117127818
2-(6-chloro-1,3-dimethylindol-2-yl)propan-1-amine
CID 84628715
1-[1-(6-chloro-1,2-dimethylindol-3-yl)cyclopropyl]-N-methylmethanamine
CID 84639089
3-(7-chloro-1,2-dimethyl-4-oxoquinolin-3-yl)propanoic acid
CID 82248917
3-methyl-3-(2,3,4,6-tetrachlorophenyl)butan-1-amine
CID 105350479

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-1,2-dimethylindol-3-yl)-3-methylbutan-1-amine?
The IUPAC name of 3-(6-chloro-1,2-dimethylindol-3-yl)-3-methylbutan-1-amine (CID 84639811) is 3-(6-chloro-1,2-dimethylindol-3-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 3-(6-chloro-1,2-dimethylindol-3-yl)-3-methylbutan-1-amine?
The canonical SMILES for 3-(6-chloro-1,2-dimethylindol-3-yl)-3-methylbutan-1-amine is Cc1c(C(C)(C)CCN)c2ccc(Cl)cc2n1C.
What is the InChIKey of 3-(6-chloro-1,2-dimethylindol-3-yl)-3-methylbutan-1-amine?
The InChIKey is JUMWIOSCYKKZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2/c1-10-14(15(2,3)7-8-17)12-6-5-11(16)9-13(12)18(10)4/h5-6,9H,7-8,17H2,1-4H3.
What are the key properties of 3-(6-chloro-1,2-dimethylindol-3-yl)-3-methylbutan-1-amine?
3-(6-chloro-1,2-dimethylindol-3-yl)-3-methylbutan-1-amine has a molecular weight of 264.80 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-1,2-dimethylindol-3-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 84639811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).