TL;DR: alpha-((2-(Dimethylamino)ethoxy)methyl)-4-methoxybenzenemethanol hydrochloride (CAS 131961-49-4) is a chemical compound with molecular formula C13H22ClNO3 and molecular weight 275.1288 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(dimethylamino)ethoxy]-1-(4-methoxyphenyl)ethanol;hydrochloride
Also Known As: alpha-((2-(Dimethylamino)ethoxy)methyl)-4-methoxybenzenemethanol hydrochloride, Benzenemethanol, alpha-((2-(dimethylamino)ethoxy)methyl)-4-methoxy-, hydrochloride, 2-(2-dimethylaminoethyloxy)-1-(4-methoxyphenyl)ethanol hydrochloride, 2-[2-(Dimethylamino)ethoxy]-1-(4-methoxyphenyl)ethan-1-ol--hydrogen chloride (1/1)
| Molecular Formula | C13H22ClNO3 |
| Molecular Weight | 275.1288 g/mol |
| XLogP | 1.7286 |
| Topological Polar Surface Area (TPSA) | 41.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 275.1288 Da |
| Heavy Atoms | 18 |
| Complexity | 191.0 |
| SMILES | CN(C)CCOCC(C1=CC=C(C=C1)OC)O.Cl |
| InChIKey | BBFUAOVYISNUEM-UHFFFAOYSA-N |
The XLogP value of 1.7286 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-((2-(Dimethylamino)ethoxy)methyl)-4-methoxybenzenemethanol hydrochloride. With a topological polar surface area (TPSA) of 41.9 Ų, alpha-((2-(Dimethylamino)ethoxy)methyl)-4-methoxybenzenemethanol hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-((2-(Dimethylamino)ethoxy)methyl)-4-methoxybenzenemethanol hydrochloride 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 alpha-((2-(Dimethylamino)ethoxy)methyl)-4-methoxybenzenemethanol hydrochloride is 131961-49-4.
The molecular formula of alpha-((2-(Dimethylamino)ethoxy)methyl)-4-methoxybenzenemethanol hydrochloride is C13H22ClNO3.
The molecular weight of alpha-((2-(Dimethylamino)ethoxy)methyl)-4-methoxybenzenemethanol hydrochloride is 275.1288 g/mol.
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