N-[2-(3,4-diethoxyphenyl)ethyl]-2-nitro-4-(trifluoromethyl)aniline
Chemical Structure Depiction of
N-[2-(3,4-diethoxyphenyl)ethyl]-2-nitro-4-(trifluoromethyl)aniline
N-[2-(3,4-diethoxyphenyl)ethyl]-2-nitro-4-(trifluoromethyl)aniline
Compound characteristics
| Compound ID: | 8012-4839 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-2-nitro-4-(trifluoromethyl)aniline |
| Molecular Weight: | 398.38 |
| Molecular Formula: | C19 H21 F3 N2 O4 |
| Smiles: | CCOc1ccc(CCNc2ccc(cc2[N+]([O-])=O)C(F)(F)F)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 4.355 |
| logD: | 4.355 |
| logSw: | -4.3604 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.118 |
| InChI Key: | DGRUROUZRUVHHI-UHFFFAOYSA-N |