HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-[(3,4,5-Trimethoxyphenyl)methyl]pyridin-2-amine
![N-[(3,4,5-Trimethoxyphenyl)methyl]pyridin-2-amine molecular structure](/img/chemical/12373545.png)
Identifiers & Physical Properties
| CAS No. | 6590-54-1 |
|---|---|
| Molecular formula | C15H18N2O3 |
| Average molar mass | 274.31 g/mol |
| Monoisotopic mass | 274.13174244 g/mol |
| SMILES | COc1cc(CNc2ccccn2)cc(OC)c1OC |
| InChIKey | IRTIVZTUONVXHU-UHFFFAOYSA-N |
| PubChem CID | 12373545 |
| ChEMBL | CHEMBL302764 |
| DTXSID | DTXSID60494966 |
Chemical & Physical Properties
| XLogP | 2.6 |
|---|---|
| Topological polar surface area | 52.6 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 6 |
| Heavy atoms | 20 |
| Formal charge | 0 |
| Complexity | 264 |