HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-(Benzylamino-methyl)-benzoic acid methyl ester
Identifiers & Physical Properties
| Molecular formula | C16H17NO2 |
|---|---|
| Average molar mass | 255.31 g/mol |
| SMILES | COC(=O)c1cccc(CNCc2ccccc2)c1 |
| InChIKey | HBPUVIARTMVZHB-UHFFFAOYSA-N |
| PubChem CID | 59190859 |
Chemical & Physical Properties
| XLogP | 3.3 |
|---|---|
| Topological polar surface area | 38.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 6 |
| Heavy atoms | 19 |
| Formal charge | 0 |
| Complexity | 274 |