1-(3,4-dimethoxyphenyl)-N-{[4-(trifluoromethyl)phenyl]methyl}methanamine--oxalic acid (1/1)
Chemical Structure Depiction of
1-(3,4-dimethoxyphenyl)-N-{[4-(trifluoromethyl)phenyl]methyl}methanamine--oxalic acid (1/1)
1-(3,4-dimethoxyphenyl)-N-{[4-(trifluoromethyl)phenyl]methyl}methanamine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3702-1410 |
| Compound Name: | 1-(3,4-dimethoxyphenyl)-N-{[4-(trifluoromethyl)phenyl]methyl}methanamine--oxalic acid (1/1) |
| Molecular Weight: | 415.36 |
| Molecular Formula: | C17 H18 F3 N O2 |
| Salt: | HOOCCOOH |
| Smiles: | COc1ccc(CNCc2ccc(cc2)C(F)(F)F)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.3472 |
| logD: | 0.2752 |
| logSw: | -3.456 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.2651 |
| InChI Key: | PCMKXACBKLWXOV-UHFFFAOYSA-N |