TL;DR: Ethanol, 2-(alpha-methyl-m-trifluoromethylphenethylamino)-, p-isobutylbenzoate (CAS 73927-42-1) is a chemical compound with molecular formula C23H28F3NO2 and molecular weight 407.2072 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-(2-methylpropyl)benzoate
Also Known As: 2-(alpha-Methyl-m-trifluoromethylphenethylamino)ethanol p-isobutylbenzoate, N-(2-Hydroxyethyl)-alpha-methyl-m-trifluoromethylphenethylamine p-isobutylbenzoate, ETHANOL, 2-(alpha-METHYL-m-TRIFLUOROMETHYLPHENETHYLAMINO)-, p-ISOBUTYLBENZOATE, Phenethylamine, N-(2-hydroxyethyl)-alpha-methyl-m-trifluoromethyl-, p-isobutylbenzoate, 2-[1-[3-(Trifluoromethyl)phenyl]propan-2-ylamino]ethyl4-(2-methylpropyl)benzoate
| Molecular Formula | C23H28F3NO2 |
| Molecular Weight | 407.2072 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 407.2072 Da |
| Heavy Atoms | 29 |
| Complexity | 487.0 |
| SMILES | CC(C)CC1=CC=C(C=C1)C(=O)OCCNC(C)CC2=CC(=CC=C2)C(F)(F)F |
| InChIKey | XFNKOEGGWOUCMI-UHFFFAOYSA-N |
The XLogP value of 6.2 indicates that Ethanol, 2-(alpha-methyl-m-trifluoromethylphenethylamino)-, p-isobutylbenzoate 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-isobutylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanol, 2-(alpha-methyl-m-trifluoromethylphenethylamino)-, p-isobutylbenzoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Ethanol, 2-(alpha-methyl-m-trifluoromethylphenethylamino)-, p-isobutylbenzoate is 73927-42-1.
The molecular formula of Ethanol, 2-(alpha-methyl-m-trifluoromethylphenethylamino)-, p-isobutylbenzoate is C23H28F3NO2.
The molecular weight of Ethanol, 2-(alpha-methyl-m-trifluoromethylphenethylamino)-, p-isobutylbenzoate is 407.2072 g/mol.
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