N-[1-(adamantan-1-yl)ethyl]-2-nitro-5-(pyrrolidin-1-yl)aniline
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)ethyl]-2-nitro-5-(pyrrolidin-1-yl)aniline
N-[1-(adamantan-1-yl)ethyl]-2-nitro-5-(pyrrolidin-1-yl)aniline
Compound characteristics
| Compound ID: | 4327-0694 |
| Compound Name: | N-[1-(adamantan-1-yl)ethyl]-2-nitro-5-(pyrrolidin-1-yl)aniline |
| Molecular Weight: | 369.51 |
| Molecular Formula: | C22 H31 N3 O2 |
| Smiles: | [H][C@@]12CC3(C[C@@]([H])(C1)C[C@]([H])(C3)C2)C(C)Nc1cc(ccc1[N+]([O-])=O)N1CCCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7051 |
| logD: | 5.7051 |
| logSw: | -5.5253 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.871 |
| InChI Key: | ICFLDJPILFXOJL-BZSISCHUSA-N |