TL;DR: 2-{[(3-Bromophenyl)methyl]amino}ethan-1-ol hydrochloride (CAS 1052428-61-1) is a chemical compound with molecular formula C9H13BrClNO and molecular weight 264.9869 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3-bromophenyl)methylamino]ethanol;hydrochloride
Also Known As: 2-{[(3-bromophenyl)methyl]amino}ethan-1-ol hydrochloride, 2-[(3-bromophenyl)methylamino]ethanol;hydrochloride, 2-[(3-bromobenzyl)amino]ethanol hydrochloride, 2-[(3-bromophenyl)methylamino]ethanol Hydrochloride, 2-{[(3-bromophenyl)methyl]amino}ethan-1-olhydrochloride
| Molecular Formula | C9H13BrClNO |
| Molecular Weight | 264.9869 g/mol |
| XLogP | 1.9528 |
| Topological Polar Surface Area (TPSA) | 32.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.9869 Da |
| Heavy Atoms | 13 |
| Complexity | 121.0 |
| SMILES | C1=CC(=CC(=C1)Br)CNCCO.Cl |
| InChIKey | VKKKSWADFKXSBB-UHFFFAOYSA-N |
The XLogP value of 1.9528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(3-Bromophenyl)methyl]amino}ethan-1-ol hydrochloride. With a topological polar surface area (TPSA) of 32.3 Ų, 2-{[(3-Bromophenyl)methyl]amino}ethan-1-ol hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[(3-Bromophenyl)methyl]amino}ethan-1-ol hydrochloride has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-{[(3-Bromophenyl)methyl]amino}ethan-1-ol hydrochloride is 1052428-61-1.
The molecular formula of 2-{[(3-Bromophenyl)methyl]amino}ethan-1-ol hydrochloride is C9H13BrClNO.
The molecular weight of 2-{[(3-Bromophenyl)methyl]amino}ethan-1-ol hydrochloride is 264.9869 g/mol.
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