TL;DR: N-Methyl-1-[2-(trifluoromethyl)phenyl]methanamine (CAS 127842-57-3) 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.
N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
Also Known As: N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine, N-Methyl-2-trifluoromethylbenzylamine, N-Methyl-1-(2-(trifluoromethyl)phenyl)methanamine, N-methyl-N-[2-(trifluoromethyl)benzyl]amine, Benzenemethanamine, N-methyl-2-(trifluoromethyl)-
| Molecular Formula | C9H10F3N |
| Molecular Weight | 189.07654 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.07654 Da |
| Heavy Atoms | 13 |
| Complexity | 155.0 |
| SMILES | CNCC1=CC=CC=C1C(F)(F)F |
| InChIKey | GKOKBYDWCYRBGB-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methyl-1-[2-(trifluoromethyl)phenyl]methanamine. With a topological polar surface area (TPSA) of 12.0 Ų, N-Methyl-1-[2-(trifluoromethyl)phenyl]methanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methyl-1-[2-(trifluoromethyl)phenyl]methanamine 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 N-Methyl-1-[2-(trifluoromethyl)phenyl]methanamine is 127842-57-3.
The molecular formula of N-Methyl-1-[2-(trifluoromethyl)phenyl]methanamine is C9H10F3N.
The molecular weight of N-Methyl-1-[2-(trifluoromethyl)phenyl]methanamine is 189.07654 g/mol.
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