N-[1-(adamantan-1-yl)ethyl]-5-chloro-2-nitroaniline
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)ethyl]-5-chloro-2-nitroaniline
N-[1-(adamantan-1-yl)ethyl]-5-chloro-2-nitroaniline
Compound characteristics
| Compound ID: | 2023-0318 |
| Compound Name: | N-[1-(adamantan-1-yl)ethyl]-5-chloro-2-nitroaniline |
| Molecular Weight: | 334.84 |
| Molecular Formula: | C18 H23 Cl N2 O2 |
| Smiles: | CC(C12CC3CC(CC(C3)C2)C1)Nc1cc(ccc1[N+]([O-])=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6185 |
| logD: | 5.6185 |
| logSw: | -5.9801 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.052 |
| InChI Key: | IFJIPWWOMVPEFF-IWERZKIRSA-N |