TL;DR: Phenethylamine, alpha-methyl-N-(2-propynyl)-m-trifluoromethyl- (CAS 15270-68-5) is a chemical compound with molecular formula C13H14F3N and molecular weight 241.10783 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-prop-2-ynyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine
Also Known As: N-(2-Chlor-phenyl)-malonamidsaeure, alpha-Methyl-N-(2-propynyl)-m-trifluoromethylphenethylamine, N-prop-2-ynyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine, Phenethylamine, alpha-methyl-N-(2-propynyl)-m-trifluoromethyl-, alpha-Methyl-N-(2-propynyl)-m-(trifluoromethyl)benzeneethanamine
| Molecular Formula | C13H14F3N |
| Molecular Weight | 241.10783 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.10783 Da |
| Heavy Atoms | 17 |
| Complexity | 276.0 |
| SMILES | CC(CC1=CC(=CC=C1)C(F)(F)F)NCC#C |
| InChIKey | IZZLBKSVDHDIMQ-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that Phenethylamine, alpha-methyl-N-(2-propynyl)-m-trifluoromethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, Phenethylamine, alpha-methyl-N-(2-propynyl)-m-trifluoromethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenethylamine, alpha-methyl-N-(2-propynyl)-m-trifluoromethyl- 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 Phenethylamine, alpha-methyl-N-(2-propynyl)-m-trifluoromethyl- is 15270-68-5.
The molecular formula of Phenethylamine, alpha-methyl-N-(2-propynyl)-m-trifluoromethyl- is C13H14F3N.
The molecular weight of Phenethylamine, alpha-methyl-N-(2-propynyl)-m-trifluoromethyl- is 241.10783 g/mol.
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