1-(2H-1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]methanamine--oxalic acid (1/1)
Chemical Structure Depiction of
1-(2H-1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]methanamine--oxalic acid (1/1)
1-(2H-1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]methanamine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4092-0279 |
| Compound Name: | 1-(2H-1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]methanamine--oxalic acid (1/1) |
| Molecular Weight: | 345.35 |
| Molecular Formula: | C16 H17 N O2 |
| Salt: | HOOCCOOH |
| Smiles: | Cc1ccc(CNCc2ccc3c(c2)OCO3)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1961 |
| logD: | 0.124 |
| logSw: | -3.0942 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.1197 |
| InChI Key: | ZVNDYCMEZPKSHC-UHFFFAOYSA-N |