1-(2H-1,3-benzodioxol-5-yl)-N-[(3-bromo-4-methoxyphenyl)methyl]methanamine
Chemical Structure Depiction of
1-(2H-1,3-benzodioxol-5-yl)-N-[(3-bromo-4-methoxyphenyl)methyl]methanamine
1-(2H-1,3-benzodioxol-5-yl)-N-[(3-bromo-4-methoxyphenyl)methyl]methanamine
Compound characteristics
| Compound ID: | Y508-5899 |
| Compound Name: | 1-(2H-1,3-benzodioxol-5-yl)-N-[(3-bromo-4-methoxyphenyl)methyl]methanamine |
| Molecular Weight: | 350.21 |
| Molecular Formula: | C16 H16 Br N O3 |
| Smiles: | COc1ccc(CNCc2ccc3c(c2)OCO3)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.3005 |
| logD: | 1.0281 |
| logSw: | -3.3719 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.75 |
| InChI Key: | HJOLRAKIAZNVHZ-UHFFFAOYSA-N |