2-(2H-1,3-benzodioxol-5-yl)-N-[(4-chlorophenyl)methyl]ethan-1-amine
Chemical Structure Depiction of
2-(2H-1,3-benzodioxol-5-yl)-N-[(4-chlorophenyl)methyl]ethan-1-amine
2-(2H-1,3-benzodioxol-5-yl)-N-[(4-chlorophenyl)methyl]ethan-1-amine
Compound characteristics
Compound ID: | Y509-0447 |
Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-N-[(4-chlorophenyl)methyl]ethan-1-amine |
Molecular Weight: | 289.76 |
Molecular Formula: | C16 H16 Cl N O2 |
Smiles: | C(CNCc1ccc(cc1)[Cl])c1ccc2c(c1)OCO2 |
Stereo: | ACHIRAL |
logP: | 3.0975 |
logD: | 2.207 |
logSw: | -3.2664 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 28.9612 |
InChI Key: | FMWBDSKWIPTIFS-UHFFFAOYSA-N |