TL;DR: N-(2-Butenyl)-alpha-Methyl-3-(Trifluoromethyl)Phenethylamine (CAS 15270-45-8) is a chemical compound with molecular formula C14H18F3N and molecular weight 257.13913 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]but-2-en-1-amine
Also Known As: N-(2-Butenyl)-alpha-Methyl-3-(Trifluoromethyl)Phenethylamine
| Molecular Formula | C14H18F3N |
| Molecular Weight | 257.13913 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 257.13913 Da |
| Heavy Atoms | 18 |
| Complexity | 260.0 |
| SMILES | CC=CCNC(C)CC1=CC(=CC=C1)C(F)(F)F |
| InChIKey | MSWGGPYUPPKTIQ-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that N-(2-Butenyl)-alpha-Methyl-3-(Trifluoromethyl)Phenethylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, N-(2-Butenyl)-alpha-Methyl-3-(Trifluoromethyl)Phenethylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-Butenyl)-alpha-Methyl-3-(Trifluoromethyl)Phenethylamine 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 N-(2-Butenyl)-alpha-Methyl-3-(Trifluoromethyl)Phenethylamine is 15270-45-8.
The molecular formula of N-(2-Butenyl)-alpha-Methyl-3-(Trifluoromethyl)Phenethylamine is C14H18F3N.
The molecular weight of N-(2-Butenyl)-alpha-Methyl-3-(Trifluoromethyl)Phenethylamine is 257.13913 g/mol.
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