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 Name | 6-(4-chloro-2-methylphenyl)-N-(2-methoxyethyl)-N-methylpyridin-3-amine |
| PubChem CID | 172606837 |
| Molecular Formula | C16H19ClN2O |
| Molecular Weight | 290.79 g/mol |
| Exact Mass | 290.12 |
| IUPAC Name | 6-(4-chloro-2-methylphenyl)-N-(2-methoxyethyl)-N-methylpyridin-3-amine |
| SMILES | COCCN(C)c1ccc(-c2ccc(Cl)cc2C)nc1 |
| InChI | 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 |
| InChIKey | VXGGLXDADSACSL-UHFFFAOYSA-N |
| XLogP | 3.79 |
| TPSA | 25.36 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 290.79 |
| LogP ≤ 5 | 3.79 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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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).