1-(2H-1,3-benzodioxol-5-yl)-N-[(2-methylphenyl)methyl]methanamine--oxalic acid (1/1)
Chemical Structure Depiction of
1-(2H-1,3-benzodioxol-5-yl)-N-[(2-methylphenyl)methyl]methanamine--oxalic acid (1/1)
1-(2H-1,3-benzodioxol-5-yl)-N-[(2-methylphenyl)methyl]methanamine--oxalic acid (1/1)
Compound characteristics
Compound ID: | 2910-2457 |
Compound Name: | 1-(2H-1,3-benzodioxol-5-yl)-N-[(2-methylphenyl)methyl]methanamine--oxalic acid (1/1) |
Molecular Weight: | 345.35 |
Molecular Formula: | C16 H17 N O2 |
Salt: | HOOCCOOH |
Smiles: | Cc1ccccc1CNCc1ccc2c(c1)OCO2 |
Stereo: | ACHIRAL |
logP: | 3.6259 |
logD: | 1.3088 |
logSw: | -3.552 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 29.1197 |
InChI Key: | MQTJXAAFBZGISI-UHFFFAOYSA-N |