TL;DR: Ethanol, 2-(alpha-methyl-m-trifluoromethylphenethylamino)-, chloroacetate (CAS 73927-33-0) is a chemical compound with molecular formula C14H17ClF3NO2 and molecular weight 323.09 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 2-chloroacetate
Also Known As: 2-(alpha-Methyl-m-trifluoromethylphenethylamino)ethanol chloroacetate, ETHANOL, 2-(alpha-METHYL-m-TRIFLUOROMETHYLPHENETHYLAMINO)-, CHLOROACETATE, N-(2-Hydroxyethyl)-alpha-methyl-m-trifluoromethylphenethylamine chloroacetate, Phenethylamine, N-(2-hydroxyethyl)-alpha-methyl-m-trifluoromethyl-, chloroacetate, 2-({1-[3-(Trifluoromethyl)phenyl]propan-2-yl}amino)ethyl chloroacetate
| Molecular Formula | C14H17ClF3NO2 |
| Molecular Weight | 323.09 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 323.09 Da |
| Heavy Atoms | 21 |
| Complexity | 326.0 |
| SMILES | CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)CCl |
| InChIKey | YGLBUZUYSLTDMF-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that Ethanol, 2-(alpha-methyl-m-trifluoromethylphenethylamino)-, chloroacetate 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)-, chloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanol, 2-(alpha-methyl-m-trifluoromethylphenethylamino)-, chloroacetate has 1 hydrogen bond donor(s) and 6 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)-, chloroacetate is 73927-33-0.
The molecular formula of Ethanol, 2-(alpha-methyl-m-trifluoromethylphenethylamino)-, chloroacetate is C14H17ClF3NO2.
The molecular weight of Ethanol, 2-(alpha-methyl-m-trifluoromethylphenethylamino)-, chloroacetate is 323.09 g/mol.
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