N-[2-(2-methylphenoxy)ethyl]-2-nitro-5-(piperidin-1-yl)aniline
Chemical Structure Depiction of
N-[2-(2-methylphenoxy)ethyl]-2-nitro-5-(piperidin-1-yl)aniline
N-[2-(2-methylphenoxy)ethyl]-2-nitro-5-(piperidin-1-yl)aniline
Compound characteristics
| Compound ID: | 2023-0576 |
| Compound Name: | N-[2-(2-methylphenoxy)ethyl]-2-nitro-5-(piperidin-1-yl)aniline |
| Molecular Weight: | 355.44 |
| Molecular Formula: | C20 H25 N3 O3 |
| Smiles: | Cc1ccccc1OCCNc1cc(ccc1[N+]([O-])=O)N1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 5.1774 |
| logD: | 5.1774 |
| logSw: | -5.0023 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.654 |
| InChI Key: | HWTRBHLFGDIXMD-UHFFFAOYSA-N |