2-(2H-1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]ethan-1-amine--oxalic acid (1/1)
Chemical Structure Depiction of
2-(2H-1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]ethan-1-amine--oxalic acid (1/1)
2-(2H-1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]ethan-1-amine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4964-4457 |
| Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]ethan-1-amine--oxalic acid (1/1) |
| Molecular Weight: | 359.38 |
| Molecular Formula: | C17 H19 N O2 |
| Salt: | HOOCCOOH |
| Smiles: | Cc1ccc(CNCCc2ccc3c(c2)OCO3)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9262 |
| logD: | 0.9963 |
| logSw: | -3.1558 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.9612 |
| InChI Key: | SWFCZJWHIKUDAX-UHFFFAOYSA-N |