N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3,4-dimethoxyphenyl)ethan-1-amine--oxalic acid (1/1)
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3,4-dimethoxyphenyl)ethan-1-amine--oxalic acid (1/1)
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3,4-dimethoxyphenyl)ethan-1-amine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3702-1262 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3,4-dimethoxyphenyl)ethan-1-amine--oxalic acid (1/1) |
| Molecular Weight: | 405.4 |
| Molecular Formula: | C18 H21 N O4 |
| Salt: | HOOCCOOH |
| Smiles: | COc1ccc(CCNCc2ccc3c(c2)OCO3)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.1177 |
| logD: | -0.4534 |
| logSw: | -2.5167 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.222 |
| InChI Key: | AQDYRONVAVJAII-UHFFFAOYSA-N |