6-chloro-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine

C14H15ClN2 — CID 63588619

IUPAC6-chloro-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine
SMILESCc1ccc(N(C)c2cccc(Cl)n2)c(C)c1
InChIInChI=1S/C14H15ClN2/c1-10-7-8-12(11(2)9-10)17(3)14-6-4-5-13(15)16-14/h4-9H,1-3H3
InChIKeySNFKZMIKJRCKBP-UHFFFAOYSA-N
MW246.74 g/mol
LogP4.12
Rot. Bonds2

About 6-chloro-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine

6-chloro-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine (PubChem CID 63588619) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 6-chloro-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine
PubChem CID63588619
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name6-chloro-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine
SMILESCc1ccc(N(C)c2cccc(Cl)n2)c(C)c1
InChIInChI=1S/C14H15ClN2/c1-10-7-8-12(11(2)9-10)17(3)14-6-4-5-13(15)16-14/h4-9H,1-3H3
InChIKeySNFKZMIKJRCKBP-UHFFFAOYSA-N
XLogP4.12
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine?
The IUPAC name of 6-chloro-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine (CID 63588619) is 6-chloro-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine?
The canonical SMILES for 6-chloro-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine is Cc1ccc(N(C)c2cccc(Cl)n2)c(C)c1.
What is the InChIKey of 6-chloro-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine?
The InChIKey is SNFKZMIKJRCKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-10-7-8-12(11(2)9-10)17(3)14-6-4-5-13(15)16-14/h4-9H,1-3H3.
What are the key properties of 6-chloro-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine?
6-chloro-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine has a molecular weight of 246.74 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 63588619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).