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

C16H19ClN2O — CID 172606837

IUPAC6-(4-chloro-2-methylphenyl)-N-(2-methoxyethyl)-N-methylpyridin-3-amine
SMILESCOCCN(C)c1ccc(-c2ccc(Cl)cc2C)nc1
InChIInChI=1S/C16H19ClN2O/c1-12-10-13(17)4-6-15(12)16-7-5-14(11-18-16)19(2)8-9-20-3/h4-7,10-11H,8-9H2,1-3H3
InChIKeyVXGGLXDADSACSL-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.79
Rot. Bonds5

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

6-(4-chloro-2-methylphenyl)-N-(2-methoxyethyl)-N-methylpyridin-3-amine (PubChem CID 172606837) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 6-(4-chloro-2-methylphenyl)-N-(2-methoxyethyl)-N-methylpyridin-3-amine.

Molecular Properties

Compound Name6-(4-chloro-2-methylphenyl)-N-(2-methoxyethyl)-N-methylpyridin-3-amine
PubChem CID172606837
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name6-(4-chloro-2-methylphenyl)-N-(2-methoxyethyl)-N-methylpyridin-3-amine
SMILESCOCCN(C)c1ccc(-c2ccc(Cl)cc2C)nc1
InChIInChI=1S/C16H19ClN2O/c1-12-10-13(17)4-6-15(12)16-7-5-14(11-18-16)19(2)8-9-20-3/h4-7,10-11H,8-9H2,1-3H3
InChIKeyVXGGLXDADSACSL-UHFFFAOYSA-N
XLogP3.79
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(4-chloro-2-methylphenyl)-N-(2-methoxyethyl)-N-methylpyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-methylphenyl)-N-(2-methoxyethyl)-N-methylpyridin-3-amine?
The IUPAC name of 6-(4-chloro-2-methylphenyl)-N-(2-methoxyethyl)-N-methylpyridin-3-amine (CID 172606837) is 6-(4-chloro-2-methylphenyl)-N-(2-methoxyethyl)-N-methylpyridin-3-amine.
What is the SMILES notation for 6-(4-chloro-2-methylphenyl)-N-(2-methoxyethyl)-N-methylpyridin-3-amine?
The canonical SMILES for 6-(4-chloro-2-methylphenyl)-N-(2-methoxyethyl)-N-methylpyridin-3-amine is COCCN(C)c1ccc(-c2ccc(Cl)cc2C)nc1.
What is the InChIKey of 6-(4-chloro-2-methylphenyl)-N-(2-methoxyethyl)-N-methylpyridin-3-amine?
The InChIKey is VXGGLXDADSACSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-12-10-13(17)4-6-15(12)16-7-5-14(11-18-16)19(2)8-9-20-3/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 6-(4-chloro-2-methylphenyl)-N-(2-methoxyethyl)-N-methylpyridin-3-amine?
6-(4-chloro-2-methylphenyl)-N-(2-methoxyethyl)-N-methylpyridin-3-amine has a molecular weight of 290.79 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-2-methylphenyl)-N-(2-methoxyethyl)-N-methylpyridin-3-amine is sourced from PubChem (CID 172606837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).