About 2-(4-methoxyphenyl)-N-methylaniline
2-(4-methoxyphenyl)-N-methylaniline (PubChem CID 12555620) has the molecular formula C14H15NO
and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-methylaniline.
Molecular Properties
| Compound Name | 2-(4-methoxyphenyl)-N-methylaniline |
| PubChem CID | 12555620 |
| Molecular Formula | C14H15NO |
| Molecular Weight | 213.28 g/mol |
| Exact Mass | 213.12 |
| IUPAC Name | 2-(4-methoxyphenyl)-N-methylaniline |
| SMILES | CNc1ccccc1-c1ccc(OC)cc1 |
| InChI | InChI=1S/C14H15NO/c1-15-14-6-4-3-5-13(14)11-7-9-12(16-2)10-8-11/h3-10,15H,1-2H3 |
| InChIKey | WYRWZUCSTCIRGH-UHFFFAOYSA-N |
| XLogP | 3.40 |
| TPSA | 21.26 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 213.28 |
| LogP ≤ 5 | 3.40 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Analyze 2-(4-methoxyphenyl)-N-methylaniline 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 2-(4-methoxyphenyl)-N-methylaniline?
The IUPAC name of 2-(4-methoxyphenyl)-N-methylaniline (CID 12555620) is 2-(4-methoxyphenyl)-N-methylaniline.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-methylaniline?
The canonical SMILES for 2-(4-methoxyphenyl)-N-methylaniline is CNc1ccccc1-c1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-methylaniline?
The InChIKey is WYRWZUCSTCIRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-15-14-6-4-3-5-13(14)11-7-9-12(16-2)10-8-11/h3-10,15H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-N-methylaniline?
2-(4-methoxyphenyl)-N-methylaniline has a molecular weight of 213.28 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-methylaniline is sourced from PubChem (CID 12555620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).