TL;DR: Benzeneethanamine, beta-methoxy-3-(trifluoromethyl)-, hydrochloride (CAS 15235-09-3) is a chemical compound with molecular formula C10H13ClF3NO and molecular weight 255.06378 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methoxy-2-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
Also Known As: SKF 39993A, beta-Methoxy-m-trifluoromethylphenethylamine hydrochloride, Benzeneethanamine, beta-methoxy-3-(trifluoromethyl)-, hydrochloride, Phenethylamine, beta-methoxy-m-trifluoromethyl-, hydrochloride, 2-methoxy-2-[3-(trifluoromethyl)phenyl]ethanamine hydrochloride
| Molecular Formula | C10H13ClF3NO |
| Molecular Weight | 255.06378 g/mol |
| XLogP | 2.7734 |
| Topological Polar Surface Area (TPSA) | 35.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.06378 Da |
| Heavy Atoms | 16 |
| Complexity | 196.0 |
| SMILES | COC(CN)C1=CC(=CC=C1)C(F)(F)F.Cl |
| InChIKey | VPSUEOVTAIWLEU-UHFFFAOYSA-N |
The XLogP value of 2.7734 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneethanamine, beta-methoxy-3-(trifluoromethyl)-, hydrochloride. With a topological polar surface area (TPSA) of 35.3 Ų, Benzeneethanamine, beta-methoxy-3-(trifluoromethyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneethanamine, beta-methoxy-3-(trifluoromethyl)-, hydrochloride has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Benzeneethanamine, beta-methoxy-3-(trifluoromethyl)-, hydrochloride is 15235-09-3.
The molecular formula of Benzeneethanamine, beta-methoxy-3-(trifluoromethyl)-, hydrochloride is C10H13ClF3NO.
The molecular weight of Benzeneethanamine, beta-methoxy-3-(trifluoromethyl)-, hydrochloride is 255.06378 g/mol.
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