1-{(butan-2-yl)[(2-methylphenyl)methyl]amino}-3-[(prop-2-yn-1-yl)oxy]propan-2-ol
Chemical Structure Depiction of
1-{(butan-2-yl)[(2-methylphenyl)methyl]amino}-3-[(prop-2-yn-1-yl)oxy]propan-2-ol
1-{(butan-2-yl)[(2-methylphenyl)methyl]amino}-3-[(prop-2-yn-1-yl)oxy]propan-2-ol
Compound characteristics
| Compound ID: | V012-0007 |
| Compound Name: | 1-{(butan-2-yl)[(2-methylphenyl)methyl]amino}-3-[(prop-2-yn-1-yl)oxy]propan-2-ol |
| Molecular Weight: | 289.42 |
| Molecular Formula: | C18 H27 N O2 |
| Salt: | not_available |
| Smiles: | CCC(C)N(CC(COCC#C)O)Cc1ccccc1C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4599 |
| logD: | 3.0974 |
| logSw: | -3.2616 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.4142 |
| InChI Key: | NIEPBSBJIRAVML-UHFFFAOYSA-N |