1-(3,4-dihydro-1H-2-benzopyran-1-yl)-N-[(4-nitrophenyl)methyl]methanamine
Chemical Structure Depiction of
1-(3,4-dihydro-1H-2-benzopyran-1-yl)-N-[(4-nitrophenyl)methyl]methanamine
1-(3,4-dihydro-1H-2-benzopyran-1-yl)-N-[(4-nitrophenyl)methyl]methanamine
Compound characteristics
| Compound ID: | 4640-0140 |
| Compound Name: | 1-(3,4-dihydro-1H-2-benzopyran-1-yl)-N-[(4-nitrophenyl)methyl]methanamine |
| Molecular Weight: | 334.8 |
| Molecular Formula: | C17 H18 N2 O3 |
| Salt: | HCl |
| Smiles: | C1COC(CNCc2ccc(cc2)[N+]([O-])=O)c2ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1362 |
| logD: | 2.9116 |
| logSw: | -3.2617 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.018 |
| InChI Key: | LIGQYMVGSQCZIQ-KRWDZBQOSA-N |