N-[(1,5-dihydro-3H-2,4-benzodioxepin-3-yl)methyl]-1-phenylethan-1-amine
Chemical Structure Depiction of
N-[(1,5-dihydro-3H-2,4-benzodioxepin-3-yl)methyl]-1-phenylethan-1-amine
N-[(1,5-dihydro-3H-2,4-benzodioxepin-3-yl)methyl]-1-phenylethan-1-amine
Compound characteristics
| Compound ID: | 5246-0138 |
| Compound Name: | N-[(1,5-dihydro-3H-2,4-benzodioxepin-3-yl)methyl]-1-phenylethan-1-amine |
| Molecular Weight: | 283.37 |
| Molecular Formula: | C18 H21 N O2 |
| Smiles: | CC(c1ccccc1)NCC1OCc2ccccc2CO1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0047 |
| logD: | 2.4646 |
| logSw: | -3.0489 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.1862 |
| InChI Key: | KULBLLSSWZJGPL-AWEZNQCLSA-N |