1-[rel-(3R,4S)-3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3R,4S)-3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethan-1-one
1-[rel-(3R,4S)-3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | S823-3900 |
| Compound Name: | 1-[rel-(3R,4S)-3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethan-1-one |
| Molecular Weight: | 276.38 |
| Molecular Formula: | C16 H24 N2 O2 |
| Smiles: | Cc1ccc(CC(N2C[C@H]([C@@H](C2)CO)N(C)C)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1387 |
| logD: | -0.6646 |
| logSw: | -1.5153 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.618 |
| InChI Key: | GBECNVBFKYKPOJ-LSDHHAIUSA-N |