5-(4-chloro-2,5-dimethylphenyl)-4-methylpyridin-2-amine

C14H15ClN2 — CID 79729239

IUPAC5-(4-chloro-2,5-dimethylphenyl)-4-methylpyridin-2-amine
SMILESCc1cc(-c2cnc(N)cc2C)c(C)cc1Cl
InChIInChI=1S/C14H15ClN2/c1-8-5-13(15)10(3)4-11(8)12-7-17-14(16)6-9(12)2/h4-7H,1-3H3,(H2,16,17)
InChIKeyTWLYKIDDAGEWMW-UHFFFAOYSA-N
MW246.74 g/mol
LogP3.91
Rot. Bonds1

About 5-(4-chloro-2,5-dimethylphenyl)-4-methylpyridin-2-amine

5-(4-chloro-2,5-dimethylphenyl)-4-methylpyridin-2-amine (PubChem CID 79729239) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 5-(4-chloro-2,5-dimethylphenyl)-4-methylpyridin-2-amine.

Molecular Properties

Compound Name5-(4-chloro-2,5-dimethylphenyl)-4-methylpyridin-2-amine
PubChem CID79729239
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name5-(4-chloro-2,5-dimethylphenyl)-4-methylpyridin-2-amine
SMILESCc1cc(-c2cnc(N)cc2C)c(C)cc1Cl
InChIInChI=1S/C14H15ClN2/c1-8-5-13(15)10(3)4-11(8)12-7-17-14(16)6-9(12)2/h4-7H,1-3H3,(H2,16,17)
InChIKeyTWLYKIDDAGEWMW-UHFFFAOYSA-N
XLogP3.91
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2,5-dimethylphenyl)-4-methylpyridin-2-amine?
The IUPAC name of 5-(4-chloro-2,5-dimethylphenyl)-4-methylpyridin-2-amine (CID 79729239) is 5-(4-chloro-2,5-dimethylphenyl)-4-methylpyridin-2-amine.
What is the SMILES notation for 5-(4-chloro-2,5-dimethylphenyl)-4-methylpyridin-2-amine?
The canonical SMILES for 5-(4-chloro-2,5-dimethylphenyl)-4-methylpyridin-2-amine is Cc1cc(-c2cnc(N)cc2C)c(C)cc1Cl.
What is the InChIKey of 5-(4-chloro-2,5-dimethylphenyl)-4-methylpyridin-2-amine?
The InChIKey is TWLYKIDDAGEWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-8-5-13(15)10(3)4-11(8)12-7-17-14(16)6-9(12)2/h4-7H,1-3H3,(H2,16,17).
What are the key properties of 5-(4-chloro-2,5-dimethylphenyl)-4-methylpyridin-2-amine?
5-(4-chloro-2,5-dimethylphenyl)-4-methylpyridin-2-amine has a molecular weight of 246.74 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2,5-dimethylphenyl)-4-methylpyridin-2-amine is sourced from PubChem (CID 79729239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).