TL;DR: (1S)-1-[2-(difluoromethoxy)phenyl]ethan-1-amine (CAS 1213316-36-9) is a chemical compound with molecular formula C9H11F2NO and molecular weight 187.08087 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S)-1-[2-(difluoromethoxy)phenyl]ethanamine
Also Known As: (S)-1-[2-(Difluoromethoxy)phenyl]ethanamine, BAS 11417819, (1S)-1-[2-(difluoromethoxy)phenyl]ethan-1-amine, (1S)-1-[2-(difluoromethoxy)phenyl]ethanamine, (S)-1-(2-(Difluoromethoxy)phenyl)ethan-1-amine
| Molecular Formula | C9H11F2NO |
| Molecular Weight | 187.08087 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 35.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 187.08087 Da |
| Heavy Atoms | 13 |
| Complexity | 155.0 |
| SMILES | C[C@@H](C1=CC=CC=C1OC(F)F)N |
| InChIKey | XZXJJKFVKBSRME-LURJTMIESA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1S)-1-[2-(difluoromethoxy)phenyl]ethan-1-amine. With a topological polar surface area (TPSA) of 35.3 Ų, (1S)-1-[2-(difluoromethoxy)phenyl]ethan-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1S)-1-[2-(difluoromethoxy)phenyl]ethan-1-amine 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-[2-(difluoromethoxy)phenyl]ethan-1-amine is 1213316-36-9.
The molecular formula of (1S)-1-[2-(difluoromethoxy)phenyl]ethan-1-amine is C9H11F2NO.
The molecular weight of (1S)-1-[2-(difluoromethoxy)phenyl]ethan-1-amine is 187.08087 g/mol.
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