TL;DR: 1-[4,5-Bis(dimethylamino)naphthalen-1-yl]ethan-1-ol (CAS 111967-90-9) is a chemical compound with molecular formula C16H22N2O and molecular weight 258.17322 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4,5-bis(dimethylamino)naphthalen-1-yl]ethanol
Also Known As: 1-[4,5-bis(dimethylamino)naphthalen-1-yl]ethan-1-ol, 1-[4,5-bis(dimethylamino)naphthalen-1-yl]ethanol, 4,5-Bis(dimethylamino)-alpha-methyl-1-naphthalenemethanol, 4,5-Bis(dimethylamino)-I+/--methyl-1-naphthalenemethanol
| Molecular Formula | C16H22N2O |
| Molecular Weight | 258.17322 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 26.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.17322 Da |
| Heavy Atoms | 19 |
| Complexity | 292.0 |
| SMILES | CC(C1=C2C=CC=C(C2=C(C=C1)N(C)C)N(C)C)O |
| InChIKey | FQSQSJQXIWCCID-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4,5-Bis(dimethylamino)naphthalen-1-yl]ethan-1-ol. With a topological polar surface area (TPSA) of 26.7 Ų, 1-[4,5-Bis(dimethylamino)naphthalen-1-yl]ethan-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[4,5-Bis(dimethylamino)naphthalen-1-yl]ethan-1-ol has 1 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-[4,5-Bis(dimethylamino)naphthalen-1-yl]ethan-1-ol is 111967-90-9.
The molecular formula of 1-[4,5-Bis(dimethylamino)naphthalen-1-yl]ethan-1-ol is C16H22N2O.
The molecular weight of 1-[4,5-Bis(dimethylamino)naphthalen-1-yl]ethan-1-ol is 258.17322 g/mol.
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