2-(2H-1,3-benzodioxol-5-yl)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]ethan-1-amine
Chemical Structure Depiction of
2-(2H-1,3-benzodioxol-5-yl)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]ethan-1-amine
2-(2H-1,3-benzodioxol-5-yl)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]ethan-1-amine
Compound characteristics
| Compound ID: | Y508-8264 |
| Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]ethan-1-amine |
| Molecular Weight: | 394.26 |
| Molecular Formula: | C18 H20 Br N O4 |
| Smiles: | COc1cc(CNCCc2ccc3c(c2)OCO3)c(cc1OC)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.9182 |
| logD: | 0.8076 |
| logSw: | -3.2186 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.222 |
| InChI Key: | AVQMBSVAIMKNJK-UHFFFAOYSA-N |