TL;DR: Phenethylamine, alpha-methyl-N-(4-pentynyl)-m-trifluoromethyl- (CAS 15270-53-8) is a chemical compound with molecular formula C15H18F3N and molecular weight 269.13913 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]pent-4-yn-1-amine
Also Known As: alpha-Methyl-N-(4-pentynyl)-m-trifluoromethylphenethylamine, Phenethylamine, alpha-methyl-N-(4-pentynyl)-m-trifluoromethyl-, N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]pent-4-yn-1-amine, alpha-Methyl-N-(4-pentynyl)-m-(trifluoromethyl)benzeneethanamine, N-{1-[3-(Trifluoromethyl)phenyl]propan-2-yl}pent-4-yn-1-amine
| Molecular Formula | C15H18F3N |
| Molecular Weight | 269.13913 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 269.13913 Da |
| Heavy Atoms | 19 |
| Complexity | 302.0 |
| SMILES | CC(CC1=CC(=CC=C1)C(F)(F)F)NCCCC#C |
| InChIKey | ZLWCFYKRUBXKGM-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that Phenethylamine, alpha-methyl-N-(4-pentynyl)-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-(4-pentynyl)-m-trifluoromethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenethylamine, alpha-methyl-N-(4-pentynyl)-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-(4-pentynyl)-m-trifluoromethyl- is 15270-53-8.
The molecular formula of Phenethylamine, alpha-methyl-N-(4-pentynyl)-m-trifluoromethyl- is C15H18F3N.
The molecular weight of Phenethylamine, alpha-methyl-N-(4-pentynyl)-m-trifluoromethyl- is 269.13913 g/mol.
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