TL;DR: Phenethylamine, N-allyl-alpha-methyl-m-trifluoromethyl- (CAS 15270-39-0) is a chemical compound with molecular formula C13H16F3N and molecular weight 243.12349 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine
Also Known As: N-Allyl-alpha-methyl-m-trifluoromethylphenethylamine, N-Allyl-alpha-methyl-3-(trifluoromethyl)phenethylamine, Phenethylamine, N-allyl-alpha-methyl-m-trifluoromethyl-, N-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine, N-{1-[3-(trifluoromethyl)phenyl]propan-2-yl}prop-2-en-1-amine
| Molecular Formula | C13H16F3N |
| Molecular Weight | 243.12349 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 243.12349 Da |
| Heavy Atoms | 17 |
| Complexity | 237.0 |
| SMILES | CC(CC1=CC(=CC=C1)C(F)(F)F)NCC=C |
| InChIKey | FDCJEDHALAMHTI-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that Phenethylamine, N-allyl-alpha-methyl-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, N-allyl-alpha-methyl-m-trifluoromethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenethylamine, N-allyl-alpha-methyl-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, N-allyl-alpha-methyl-m-trifluoromethyl- is 15270-39-0.
The molecular formula of Phenethylamine, N-allyl-alpha-methyl-m-trifluoromethyl- is C13H16F3N.
The molecular weight of Phenethylamine, N-allyl-alpha-methyl-m-trifluoromethyl- is 243.12349 g/mol.
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