6-(3-chloro-4-methylphenyl)-N-methylpyridin-2-amine

C13H13ClN2 — CID 115504278

IUPAC6-(3-chloro-4-methylphenyl)-N-methylpyridin-2-amine
SMILESCNc1cccc(-c2ccc(C)c(Cl)c2)n1
InChIInChI=1S/C13H13ClN2/c1-9-6-7-10(8-11(9)14)12-4-3-5-13(15-2)16-12/h3-8H,1-2H3,(H,15,16)
InChIKeyGKZQFUDTZJFTQC-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.75
Rot. Bonds2

About 6-(3-chloro-4-methylphenyl)-N-methylpyridin-2-amine

6-(3-chloro-4-methylphenyl)-N-methylpyridin-2-amine (PubChem CID 115504278) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 6-(3-chloro-4-methylphenyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-(3-chloro-4-methylphenyl)-N-methylpyridin-2-amine
PubChem CID115504278
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name6-(3-chloro-4-methylphenyl)-N-methylpyridin-2-amine
SMILESCNc1cccc(-c2ccc(C)c(Cl)c2)n1
InChIInChI=1S/C13H13ClN2/c1-9-6-7-10(8-11(9)14)12-4-3-5-13(15-2)16-12/h3-8H,1-2H3,(H,15,16)
InChIKeyGKZQFUDTZJFTQC-UHFFFAOYSA-N
XLogP3.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-methylphenyl)-N-methylpyridin-2-amine?
The IUPAC name of 6-(3-chloro-4-methylphenyl)-N-methylpyridin-2-amine (CID 115504278) is 6-(3-chloro-4-methylphenyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 6-(3-chloro-4-methylphenyl)-N-methylpyridin-2-amine?
The canonical SMILES for 6-(3-chloro-4-methylphenyl)-N-methylpyridin-2-amine is CNc1cccc(-c2ccc(C)c(Cl)c2)n1.
What is the InChIKey of 6-(3-chloro-4-methylphenyl)-N-methylpyridin-2-amine?
The InChIKey is GKZQFUDTZJFTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c1-9-6-7-10(8-11(9)14)12-4-3-5-13(15-2)16-12/h3-8H,1-2H3,(H,15,16).
What are the key properties of 6-(3-chloro-4-methylphenyl)-N-methylpyridin-2-amine?
6-(3-chloro-4-methylphenyl)-N-methylpyridin-2-amine has a molecular weight of 232.71 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-methylphenyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 115504278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).