N-({3-ethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}methyl)-2,4,4-trimethylpentan-2-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-({3-ethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}methyl)-2,4,4-trimethylpentan-2-amine--hydrogen chloride (1/1)
N-({3-ethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}methyl)-2,4,4-trimethylpentan-2-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | Y510-4956 |
| Compound Name: | N-({3-ethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}methyl)-2,4,4-trimethylpentan-2-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 353.93 |
| Molecular Formula: | C20 H31 N O2 |
| Salt: | HCl |
| Smiles: | CCOc1cc(CNC(C)(C)CC(C)(C)C)ccc1OCC#C |
| Stereo: | ACHIRAL |
| logP: | 4.0947 |
| logD: | 0.1985 |
| logSw: | -4.3349 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 26.0723 |
| InChI Key: | NLSSKHWZXKQVSF-UHFFFAOYSA-N |