1-{[(2H-1,3-benzodioxol-5-yl)methyl][(2,5-dimethylphenyl)methyl]amino}butan-2-ol
Chemical Structure Depiction of
1-{[(2H-1,3-benzodioxol-5-yl)methyl][(2,5-dimethylphenyl)methyl]amino}butan-2-ol
1-{[(2H-1,3-benzodioxol-5-yl)methyl][(2,5-dimethylphenyl)methyl]amino}butan-2-ol
Compound characteristics
| Compound ID: | V028-7742 |
| Compound Name: | 1-{[(2H-1,3-benzodioxol-5-yl)methyl][(2,5-dimethylphenyl)methyl]amino}butan-2-ol |
| Molecular Weight: | 341.45 |
| Molecular Formula: | C21 H27 N O3 |
| Salt: | not_available |
| Smiles: | CCC(CN(Cc1ccc2c(c1)OCO2)Cc1cc(C)ccc1C)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5823 |
| logD: | 3.591 |
| logSw: | -4.3048 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.685 |
| InChI Key: | YFQOFIQRVZJUDQ-IBGZPJMESA-N |