1-{[(2H-1,3-benzodioxol-5-yl)methyl][(4-methylphenyl)methyl]amino}pentan-2-ol
Chemical Structure Depiction of
1-{[(2H-1,3-benzodioxol-5-yl)methyl][(4-methylphenyl)methyl]amino}pentan-2-ol
1-{[(2H-1,3-benzodioxol-5-yl)methyl][(4-methylphenyl)methyl]amino}pentan-2-ol
Compound characteristics
| Compound ID: | V012-1748 |
| Compound Name: | 1-{[(2H-1,3-benzodioxol-5-yl)methyl][(4-methylphenyl)methyl]amino}pentan-2-ol |
| Molecular Weight: | 341.45 |
| Molecular Formula: | C21 H27 N O3 |
| Salt: | not_available |
| Smiles: | CCCC(CN(Cc1ccc(C)cc1)Cc1ccc2c(c1)OCO2)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2829 |
| logD: | 3.2675 |
| logSw: | -4.2079 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.685 |
| InChI Key: | LCULICYDZCQOGZ-IBGZPJMESA-N |