N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{2,2-dimethyl-4-[3-(trifluoromethyl)phenyl]oxan-4-yl}ethan-1-amine
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{2,2-dimethyl-4-[3-(trifluoromethyl)phenyl]oxan-4-yl}ethan-1-amine
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{2,2-dimethyl-4-[3-(trifluoromethyl)phenyl]oxan-4-yl}ethan-1-amine
Compound characteristics
| Compound ID: | D442-0315 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{2,2-dimethyl-4-[3-(trifluoromethyl)phenyl]oxan-4-yl}ethan-1-amine |
| Molecular Weight: | 435.49 |
| Molecular Formula: | C24 H28 F3 N O3 |
| Smiles: | CC1(C)CC(CCNCc2ccc3c(c2)OCO3)(CCO1)c1cccc(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0329 |
| logD: | 2.5231 |
| logSw: | -4.7582 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.081 |
| InChI Key: | NSPYYTLYXJEXFA-QHCPKHFHSA-N |