2-(2H-1,3-benzodioxol-5-yl)-N-[(3-bromophenyl)methyl]ethan-1-amine--oxalic acid (1/1)
Chemical Structure Depiction of
2-(2H-1,3-benzodioxol-5-yl)-N-[(3-bromophenyl)methyl]ethan-1-amine--oxalic acid (1/1)
2-(2H-1,3-benzodioxol-5-yl)-N-[(3-bromophenyl)methyl]ethan-1-amine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 2910-2350 |
| Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-N-[(3-bromophenyl)methyl]ethan-1-amine--oxalic acid (1/1) |
| Molecular Weight: | 424.25 |
| Molecular Formula: | C16 H16 Br N O2 |
| Salt: | HOOCCOOH |
| Smiles: | C(CNCc1cccc(c1)[Br])c1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.2557 |
| logD: | 1.854 |
| logSw: | -3.229 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.9612 |
| InChI Key: | KFXVVVPGODJCSG-UHFFFAOYSA-N |