TL;DR: Ethanol, 2-(alpha-methyl-m-trifluoromethylphenethylamino)-, p-fluorobenzoate (CAS 73927-40-9) is a chemical compound with molecular formula C19H19F4NO2 and molecular weight 369.1352 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl 4-fluorobenzoate
Also Known As: N-(2-Hydroxyethyl)-alpha-methyl-m-trifluoromethylphenethylamine p-fluorobenzoate, 2-(alpha-Methyl-m-trifluoromethylphenethylamino)ethanol p-fluorobenzoate, ETHANOL, 2-(alpha-METHYL-m-TRIFLUOROMETHYLPHENETHYLAMINO)-, p-FLUOROBENZOATE, Phenethylamine, N-(2-hydroxyethyl)-alpha-methyl-m-trifluoromethyl-, p-fluorobenzoate, 2-({1-[3-(Trifluoromethyl)phenyl]propan-2-yl}amino)ethyl 4-fluorobenzoate
| Molecular Formula | C19H19F4NO2 |
| Molecular Weight | 369.1352 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 369.1352 Da |
| Heavy Atoms | 26 |
| Complexity | 436.0 |
| SMILES | CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)C2=CC=C(C=C2)F |
| InChIKey | UOTXTGKRAINGSD-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that Ethanol, 2-(alpha-methyl-m-trifluoromethylphenethylamino)-, p-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Ethanol, 2-(alpha-methyl-m-trifluoromethylphenethylamino)-, p-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanol, 2-(alpha-methyl-m-trifluoromethylphenethylamino)-, p-fluorobenzoate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ethanol, 2-(alpha-methyl-m-trifluoromethylphenethylamino)-, p-fluorobenzoate is 73927-40-9.
The molecular formula of Ethanol, 2-(alpha-methyl-m-trifluoromethylphenethylamino)-, p-fluorobenzoate is C19H19F4NO2.
The molecular weight of Ethanol, 2-(alpha-methyl-m-trifluoromethylphenethylamino)-, p-fluorobenzoate is 369.1352 g/mol.
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