TL;DR: 2-Propanol, 1-((1,1-dimethylethyl)amino)-3-(2-((4-(1-methylethyl)phenyl)ethynyl)phenoxy)- (CAS 126661-25-4) is a chemical compound with molecular formula C24H31NO2 and molecular weight 365.23547 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(tert-butylamino)-3-[2-[2-(4-propan-2-ylphenyl)ethynyl]phenoxy]propan-2-ol
Also Known As: 2-Propanol, 1-((1,1-dimethylethyl)amino)-3-(2-((4-(1-methylethyl)phenyl)ethynyl)phenoxy)-, 1-(tert-butylamino)-3-(2-{[4-(propan-2-yl)phenyl]ethynyl}phenoxy)propan-2-ol, 1-(tert-butylamino)-3-[2-[2-(4-propan-2-ylphenyl)ethynyl]phenoxy]propan-2-ol, 1-[2-[2-(4-propan-2-ylphenyl)ethynyl]phenoxy]-3-(tert-butylamino)propan-2-ol
| Molecular Formula | C24H31NO2 |
| Molecular Weight | 365.23547 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 41.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 365.23547 Da |
| Heavy Atoms | 27 |
| Complexity | 487.0 |
| SMILES | CC(C)C1=CC=C(C=C1)C#CC2=CC=CC=C2OCC(CNC(C)(C)C)O |
| InChIKey | DPJUAEJIUGBPAA-UHFFFAOYSA-N |
The XLogP value of 5.3 indicates that 2-Propanol, 1-((1,1-dimethylethyl)amino)-3-(2-((4-(1-methylethyl)phenyl)ethynyl)phenoxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.5 Ų, 2-Propanol, 1-((1,1-dimethylethyl)amino)-3-(2-((4-(1-methylethyl)phenyl)ethynyl)phenoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propanol, 1-((1,1-dimethylethyl)amino)-3-(2-((4-(1-methylethyl)phenyl)ethynyl)phenoxy)- has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-Propanol, 1-((1,1-dimethylethyl)amino)-3-(2-((4-(1-methylethyl)phenyl)ethynyl)phenoxy)- is 126661-25-4.
The molecular formula of 2-Propanol, 1-((1,1-dimethylethyl)amino)-3-(2-((4-(1-methylethyl)phenyl)ethynyl)phenoxy)- is C24H31NO2.
The molecular weight of 2-Propanol, 1-((1,1-dimethylethyl)amino)-3-(2-((4-(1-methylethyl)phenyl)ethynyl)phenoxy)- is 365.23547 g/mol.
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