TL;DR: 1-[4-(dimethylamino)phenyl]octahydroisoquinolin-4a(2H)-ol (CAS 1005264-43-6) is a chemical compound with molecular formula C17H26N2O and molecular weight 274.2045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-(dimethylamino)phenyl]-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
Also Known As: 1-[4-(dimethylamino)phenyl]octahydroisoquinolin-4a(2H)-ol, 1-[4-(dimethylamino)phenyl]-decahydroisoquinolin-4a-ol, W-9065, 4a(2H)-isoquinolinol, 1-[4-(dimethylamino)phenyl]octahydro-, 1-(4-dimethylaminophenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
| Molecular Formula | C17H26N2O |
| Molecular Weight | 274.2045 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.2045 Da |
| Heavy Atoms | 20 |
| Complexity | 325.0 |
| SMILES | CN(C)C1=CC=C(C=C1)C2C3CCCCC3(CCN2)O |
| InChIKey | CJWFTHZGKMRDJR-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-(dimethylamino)phenyl]octahydroisoquinolin-4a(2H)-ol. With a topological polar surface area (TPSA) of 35.5 Ų, 1-[4-(dimethylamino)phenyl]octahydroisoquinolin-4a(2H)-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[4-(dimethylamino)phenyl]octahydroisoquinolin-4a(2H)-ol has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-[4-(dimethylamino)phenyl]octahydroisoquinolin-4a(2H)-ol is 1005264-43-6.
The molecular formula of 1-[4-(dimethylamino)phenyl]octahydroisoquinolin-4a(2H)-ol is C17H26N2O.
The molecular weight of 1-[4-(dimethylamino)phenyl]octahydroisoquinolin-4a(2H)-ol is 274.2045 g/mol.
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