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

C15H21ClN2 — CID 84639810

IUPAC2-(6-chloro-1,2-dimethylindol-3-yl)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(C)c1c(C)n(C)c2cc(Cl)ccc12
InChIInChI=1S/C15H21ClN2/c1-10-14(15(2,3)9-17-4)12-7-6-11(16)8-13(12)18(10)5/h6-8,17H,9H2,1-5H3
InChIKeyNUNITVZKYWELTO-UHFFFAOYSA-N
MW264.80 g/mol
LogP3.64
Rot. Bonds3

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

2-(6-chloro-1,2-dimethylindol-3-yl)-N,2-dimethylpropan-1-amine (PubChem CID 84639810) has the molecular formula C15H21ClN2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 2-(6-chloro-1,2-dimethylindol-3-yl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name2-(6-chloro-1,2-dimethylindol-3-yl)-N,2-dimethylpropan-1-amine
PubChem CID84639810
Molecular FormulaC15H21ClN2
Molecular Weight264.80 g/mol
Exact Mass264.14
IUPAC Name2-(6-chloro-1,2-dimethylindol-3-yl)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(C)c1c(C)n(C)c2cc(Cl)ccc12
InChIInChI=1S/C15H21ClN2/c1-10-14(15(2,3)9-17-4)12-7-6-11(16)8-13(12)18(10)5/h6-8,17H,9H2,1-5H3
InChIKeyNUNITVZKYWELTO-UHFFFAOYSA-N
XLogP3.64
TPSA16.96 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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1,2-dimethylindol-3-yl)-N,2-dimethylpropan-1-amine?
The IUPAC name of 2-(6-chloro-1,2-dimethylindol-3-yl)-N,2-dimethylpropan-1-amine (CID 84639810) is 2-(6-chloro-1,2-dimethylindol-3-yl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 2-(6-chloro-1,2-dimethylindol-3-yl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 2-(6-chloro-1,2-dimethylindol-3-yl)-N,2-dimethylpropan-1-amine is CNCC(C)(C)c1c(C)n(C)c2cc(Cl)ccc12.
What is the InChIKey of 2-(6-chloro-1,2-dimethylindol-3-yl)-N,2-dimethylpropan-1-amine?
The InChIKey is NUNITVZKYWELTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2/c1-10-14(15(2,3)9-17-4)12-7-6-11(16)8-13(12)18(10)5/h6-8,17H,9H2,1-5H3.
What are the key properties of 2-(6-chloro-1,2-dimethylindol-3-yl)-N,2-dimethylpropan-1-amine?
2-(6-chloro-1,2-dimethylindol-3-yl)-N,2-dimethylpropan-1-amine has a molecular weight of 264.80 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1,2-dimethylindol-3-yl)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 84639810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).