1-(3,4-difluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine--oxalic acid (1/1)
Chemical Structure Depiction of
1-(3,4-difluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine--oxalic acid (1/1)
1-(3,4-difluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3702-0976 |
| Compound Name: | 1-(3,4-difluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine--oxalic acid (1/1) |
| Molecular Weight: | 413.37 |
| Molecular Formula: | C17 H19 F2 N O3 |
| Salt: | HOOCCOOH |
| Smiles: | COc1cc(CNCc2ccc(c(c2)F)F)cc(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 2.9085 |
| logD: | -0.4108 |
| logSw: | -3.215 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.982 |
| InChI Key: | IPPWJESKTDEBME-UHFFFAOYSA-N |