3-(benzylamino)-2-bromo-5,5-dimethylcyclohex-2-en-1-one
Chemical Structure Depiction of
3-(benzylamino)-2-bromo-5,5-dimethylcyclohex-2-en-1-one
3-(benzylamino)-2-bromo-5,5-dimethylcyclohex-2-en-1-one
Compound characteristics
| Compound ID: | 4466-0259 |
| Compound Name: | 3-(benzylamino)-2-bromo-5,5-dimethylcyclohex-2-en-1-one |
| Molecular Weight: | 308.22 |
| Molecular Formula: | C15 H18 Br N O |
| Smiles: | CC1(C)CC(=C(C(C1)=O)[Br])NCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2329 |
| logD: | 3.2205 |
| logSw: | -3.2975 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.722 |
| InChI Key: | PSHKRBZGVFBXOQ-UHFFFAOYSA-N |