TL;DR: (1S)-1-[3-(Trifluoromethyl)phenyl]ethylamine (CAS 127852-30-6) is a chemical compound with molecular formula C9H10F3N and molecular weight 189.07654 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
Also Known As: (S)-1-(3-(trifluoromethyl)phenyl)ethanamine, (S)-1-[3-(Trifluoromethyl)phenyl]ethylamine, (1S)-1-[3-(trifluoromethyl)phenyl]ethanamine, (1S)-1-[3-(trifluoromethyl)phenyl]ethan-1-amine, (S)-1-(3-(trifluoromethyl)phenyl)ethan-1-amine
| Molecular Formula | C9H10F3N |
| Molecular Weight | 189.07654 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.07654 Da |
| Heavy Atoms | 13 |
| Complexity | 167.0 |
| SMILES | C[C@@H](C1=CC(=CC=C1)C(F)(F)F)N |
| InChIKey | ODZXRBRYQGYVJY-LURJTMIESA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1S)-1-[3-(Trifluoromethyl)phenyl]ethylamine. With a topological polar surface area (TPSA) of 26.0 Ų, (1S)-1-[3-(Trifluoromethyl)phenyl]ethylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1S)-1-[3-(Trifluoromethyl)phenyl]ethylamine has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (1S)-1-[3-(Trifluoromethyl)phenyl]ethylamine is 127852-30-6.
The molecular formula of (1S)-1-[3-(Trifluoromethyl)phenyl]ethylamine is C9H10F3N.
The molecular weight of (1S)-1-[3-(Trifluoromethyl)phenyl]ethylamine is 189.07654 g/mol.
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