TL;DR: 2-[4-(4-Bromo-phenyl)-piperazin-1-YL]-ethylamine (CAS 199616-96-1) is a chemical compound with molecular formula C12H18BrN3 and molecular weight 283.06842 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(4-bromophenyl)piperazin-1-yl]ethanamine
Also Known As: 2-[4-(4-bromophenyl)piperazin-1-yl]ethanamine, 2-[4-(4-BROMO-PHENYL)-PIPERAZIN-1-YL]-ETHYLAMINE, 2-[4-(4-bromophenyl)piperazin-1-yl]ethylamine, 2-[4-(4-bromophenyl)piperazin-1-yl]ethan-1-amine, 2-(3-CHLORO-PHENYL)-OXAZOL-4-YL-METHYLAMINE
| Molecular Formula | C12H18BrN3 |
| Molecular Weight | 283.06842 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 32.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.06842 Da |
| Heavy Atoms | 16 |
| Complexity | 196.0 |
| SMILES | C1CN(CCN1CCN)C2=CC=C(C=C2)Br |
| InChIKey | IVYCDABPAPCTDJ-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(4-Bromo-phenyl)-piperazin-1-YL]-ethylamine. With a topological polar surface area (TPSA) of 32.5 Ų, 2-[4-(4-Bromo-phenyl)-piperazin-1-YL]-ethylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-(4-Bromo-phenyl)-piperazin-1-YL]-ethylamine has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[4-(4-Bromo-phenyl)-piperazin-1-YL]-ethylamine is 199616-96-1.
The molecular formula of 2-[4-(4-Bromo-phenyl)-piperazin-1-YL]-ethylamine is C12H18BrN3.
The molecular weight of 2-[4-(4-Bromo-phenyl)-piperazin-1-YL]-ethylamine is 283.06842 g/mol.
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