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

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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).