TL;DR: 2-((3,4-Dihydro-2-methyl-4-(3-(trifluoromethyl)phenyl)-2H-1-benzopyran-7-yl)oxy)-N,N-dimethyl ethanamine (CAS 147241-85-8) is a chemical compound with molecular formula C21H24F3NO2 and molecular weight 379.1759 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-dimethyl-2-[[2-methyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]oxy]ethanamine
Also Known As: 2-((3,4-Dihydro-2-methyl-4-(3-(trifluoromethyl)phenyl)-2H-1-benzopyran-7-yl)oxy)-N,N-dimethyl ethanamine, Ethanamine, 2-((3,4-dihydro-2-methyl-4-(3-(trifluoromethyl)phenyl)-2H-1-benzopyran-7-yl)oxy)-N,N-dimethyl-, 2-((3,4-Dihydro-2-methyl-4-(3-(trifluoromethyl)phenyl)-2H-1-benzopyran-7-yl)oxy)-N,N-dimethylethanamine, N,N-dimethyl-2-[[2-methyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]oxy]ethanamine, dimethyl[2-({2-methyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)ethyl]amine
| Molecular Formula | C21H24F3NO2 |
| Molecular Weight | 379.1759 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.1759 Da |
| Heavy Atoms | 27 |
| Complexity | 471.0 |
| SMILES | CC1CC(C2=C(O1)C=C(C=C2)OCCN(C)C)C3=CC(=CC=C3)C(F)(F)F |
| InChIKey | GKQQWVNUPNIGPZ-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that 2-((3,4-Dihydro-2-methyl-4-(3-(trifluoromethyl)phenyl)-2H-1-benzopyran-7-yl)oxy)-N,N-dimethyl ethanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.7 Ų, 2-((3,4-Dihydro-2-methyl-4-(3-(trifluoromethyl)phenyl)-2H-1-benzopyran-7-yl)oxy)-N,N-dimethyl ethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((3,4-Dihydro-2-methyl-4-(3-(trifluoromethyl)phenyl)-2H-1-benzopyran-7-yl)oxy)-N,N-dimethyl ethanamine has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-((3,4-Dihydro-2-methyl-4-(3-(trifluoromethyl)phenyl)-2H-1-benzopyran-7-yl)oxy)-N,N-dimethyl ethanamine is 147241-85-8.
The molecular formula of 2-((3,4-Dihydro-2-methyl-4-(3-(trifluoromethyl)phenyl)-2H-1-benzopyran-7-yl)oxy)-N,N-dimethyl ethanamine is C21H24F3NO2.
The molecular weight of 2-((3,4-Dihydro-2-methyl-4-(3-(trifluoromethyl)phenyl)-2H-1-benzopyran-7-yl)oxy)-N,N-dimethyl ethanamine is 379.1759 g/mol.
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