N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(2-methoxyphenyl)-2-(propan-2-yl)oxan-4-yl]ethan-1-amine
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(2-methoxyphenyl)-2-(propan-2-yl)oxan-4-yl]ethan-1-amine
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(2-methoxyphenyl)-2-(propan-2-yl)oxan-4-yl]ethan-1-amine
Compound characteristics
| Compound ID: | D442-0173 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(2-methoxyphenyl)-2-(propan-2-yl)oxan-4-yl]ethan-1-amine |
| Molecular Weight: | 411.54 |
| Molecular Formula: | C25 H33 N O4 |
| Smiles: | CC(C)C1CC(CCNCc2ccc3c(c2)OCO3)(CCO1)c1ccccc1OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3845 |
| logD: | 1.8187 |
| logSw: | -4.3206 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.366 |
| InChI Key: | NMPJHGCISZRRPQ-UHFFFAOYSA-N |