N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-fluorophenyl)ethan-1-amine--oxalic acid (1/1)
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-fluorophenyl)ethan-1-amine--oxalic acid (1/1)
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-fluorophenyl)ethan-1-amine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | Y501-6925 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-fluorophenyl)ethan-1-amine--oxalic acid (1/1) |
| Molecular Weight: | 363.34 |
| Molecular Formula: | C16 H16 F N O2 |
| Salt: | HOOCCOOH |
| Smiles: | C(CNCc1ccc2c(c1)OCO2)c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 2.6297 |
| logD: | -0.2019 |
| logSw: | -2.8396 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.9612 |
| InChI Key: | GIHYLDHKZINEEO-UHFFFAOYSA-N |