N-[(1,5-dihydro-3H-2,4-benzodioxepin-3-yl)methyl]-3-methylbutan-1-amine
Chemical Structure Depiction of
N-[(1,5-dihydro-3H-2,4-benzodioxepin-3-yl)methyl]-3-methylbutan-1-amine
N-[(1,5-dihydro-3H-2,4-benzodioxepin-3-yl)methyl]-3-methylbutan-1-amine
Compound characteristics
| Compound ID: | 5246-0139 |
| Compound Name: | N-[(1,5-dihydro-3H-2,4-benzodioxepin-3-yl)methyl]-3-methylbutan-1-amine |
| Molecular Weight: | 249.35 |
| Molecular Formula: | C15 H23 N O2 |
| Smiles: | CC(C)CCNCC1OCc2ccccc2CO1 |
| Stereo: | ACHIRAL |
| logP: | 2.4688 |
| logD: | 1.0091 |
| logSw: | -2.5639 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.3452 |
| InChI Key: | XVBDDHFBYWIZGS-UHFFFAOYSA-N |