N-[2-(3-methylphenoxy)ethyl]-2-nitro-5-(pyrrolidin-1-yl)aniline
Chemical Structure Depiction of
N-[2-(3-methylphenoxy)ethyl]-2-nitro-5-(pyrrolidin-1-yl)aniline
N-[2-(3-methylphenoxy)ethyl]-2-nitro-5-(pyrrolidin-1-yl)aniline
Compound characteristics
| Compound ID: | 2023-0548 |
| Compound Name: | N-[2-(3-methylphenoxy)ethyl]-2-nitro-5-(pyrrolidin-1-yl)aniline |
| Molecular Weight: | 341.41 |
| Molecular Formula: | C19 H23 N3 O3 |
| Smiles: | Cc1cccc(c1)OCCNc1cc(ccc1[N+]([O-])=O)N1CCCC1 |
| Stereo: | ACHIRAL |
| logP: | 5.1373 |
| logD: | 5.1373 |
| logSw: | -5.1109 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.933 |
| InChI Key: | IYECCJLABJLPSS-UHFFFAOYSA-N |