N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-phenylprop-2-yn-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-phenylprop-2-yn-1-amine--hydrogen chloride (1/1)
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-phenylprop-2-yn-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8018-3301 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-phenylprop-2-yn-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 301.77 |
| Molecular Formula: | C17 H15 N O2 |
| Salt: | HCl |
| Smiles: | C(C#Cc1ccccc1)NCc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.4835 |
| logD: | 3.2655 |
| logSw: | -3.5679 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.9612 |
| InChI Key: | QHRPUMISCUNQQY-UHFFFAOYSA-N |