TL;DR: Ethanol, 2-(alpha-methyl-m-trifluoromethylphenethylamino)-, phenylacetate (CAS 73927-47-6) is a chemical compound with molecular formula C20H22F3NO2 and molecular weight 365.16028 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-phenylacetate
Also Known As: 2-(alpha-Methyl-m-trifluoromethylphenethylamino)ethanol phenylacetate, ETHANOL, 2-(alpha-METHYL-m-TRIFLUOROMETHYLPHENETHYLAMINO)-, PHENYLACETATE, N-(2-Hydroxyethyl)-alpha-methyl-m-trifluoromethylphenethylamine phenylacetate, Phenethylamine, N-(2-hydroxyethyl)-alpha-methyl-m-trifluoromethyl-, phenylacetate, 2-({1-[3-(trifluoromethyl)phenyl]propan-2-yl}amino)ethyl phenylacetate
| Molecular Formula | C20H22F3NO2 |
| Molecular Weight | 365.16028 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 365.16028 Da |
| Heavy Atoms | 26 |
| Complexity | 422.0 |
| SMILES | CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)CC2=CC=CC=C2 |
| InChIKey | KOMFMWIQAFHLSK-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that Ethanol, 2-(alpha-methyl-m-trifluoromethylphenethylamino)-, phenylacetate 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)-, phenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanol, 2-(alpha-methyl-m-trifluoromethylphenethylamino)-, phenylacetate 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)-, phenylacetate is 73927-47-6.
The molecular formula of Ethanol, 2-(alpha-methyl-m-trifluoromethylphenethylamino)-, phenylacetate is C20H22F3NO2.
The molecular weight of Ethanol, 2-(alpha-methyl-m-trifluoromethylphenethylamino)-, phenylacetate is 365.16028 g/mol.
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