TL;DR: 2-Propanol, 1-(2-((3-((dimethylamino)methyl)phenyl)ethynyl)phenoxy)-3-((1,1-dimethylethyl)amino)- (CAS 126661-35-6) is a chemical compound with molecular formula C24H32N2O2 and molecular weight 380.24637 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(tert-butylamino)-3-[2-[2-[3-[(dimethylamino)methyl]phenyl]ethynyl]phenoxy]propan-2-ol
Also Known As: 2-Propanol, 1-(2-((3-((dimethylamino)methyl)phenyl)ethynyl)phenoxy)-3-((1,1-dimethylethyl)amino)-, 1-(tert-butylamino)-3-[2-({3-[(dimethylamino)methyl]phenyl}ethynyl)phenoxy]propan-2-ol, 1-(tert-butylamino)-3-[2-[2-[3-(dimethylaminomethyl)phenyl]ethynyl]phenoxy]propan-2-ol, 1-[2-[2-[3-(dimethylaminomethyl)phenyl]ethynyl]phenoxy]-3-(tert-butylamino)propan-2-ol
| Molecular Formula | C24H32N2O2 |
| Molecular Weight | 380.24637 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 44.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 380.24637 Da |
| Heavy Atoms | 28 |
| Complexity | 514.0 |
| SMILES | CC(C)(C)NCC(COC1=CC=CC=C1C#CC2=CC=CC(=C2)CN(C)C)O |
| InChIKey | CEQRHYBEWOKVHL-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 2-Propanol, 1-(2-((3-((dimethylamino)methyl)phenyl)ethynyl)phenoxy)-3-((1,1-dimethylethyl)amino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.7 Ų, 2-Propanol, 1-(2-((3-((dimethylamino)methyl)phenyl)ethynyl)phenoxy)-3-((1,1-dimethylethyl)amino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propanol, 1-(2-((3-((dimethylamino)methyl)phenyl)ethynyl)phenoxy)-3-((1,1-dimethylethyl)amino)- has 2 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 2-Propanol, 1-(2-((3-((dimethylamino)methyl)phenyl)ethynyl)phenoxy)-3-((1,1-dimethylethyl)amino)- is 126661-35-6.
The molecular formula of 2-Propanol, 1-(2-((3-((dimethylamino)methyl)phenyl)ethynyl)phenoxy)-3-((1,1-dimethylethyl)amino)- is C24H32N2O2.
The molecular weight of 2-Propanol, 1-(2-((3-((dimethylamino)methyl)phenyl)ethynyl)phenoxy)-3-((1,1-dimethylethyl)amino)- is 380.24637 g/mol.
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