TL;DR: alpha-((2-(Dimethylamino)ethoxy)methyl)-3-methylbenzenemethanol hydrochloride (CAS 131961-22-3) is a chemical compound with molecular formula C13H22ClNO2 and molecular weight 259.1339 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(dimethylamino)ethoxy]-1-(3-methylphenyl)ethanol;hydrochloride
Also Known As: alpha-((2-(Dimethylamino)ethoxy)methyl)-3-methylbenzenemethanol hydrochloride, Benzenemethanol, alpha-((2-(dimethylamino)ethoxy)methyl)-3-methyl-, hydrochloride, 2-(2-dimethylaminoethyloxy)-1-(3-methylphenyl)ethanol hydrochloride, 2-[2-(Dimethylamino)ethoxy]-1-(3-methylphenyl)ethan-1-ol--hydrogen chloride (1/1)
| Molecular Formula | C13H22ClNO2 |
| Molecular Weight | 259.1339 g/mol |
| XLogP | 2.02842 |
| Topological Polar Surface Area (TPSA) | 32.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 259.1339 Da |
| Heavy Atoms | 17 |
| Complexity | 185.0 |
| SMILES | CC1=CC(=CC=C1)C(COCCN(C)C)O.Cl |
| InChIKey | QMRLBNRAHSIPMA-UHFFFAOYSA-N |
The XLogP value of 2.02842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-((2-(Dimethylamino)ethoxy)methyl)-3-methylbenzenemethanol hydrochloride. With a topological polar surface area (TPSA) of 32.7 Ų, alpha-((2-(Dimethylamino)ethoxy)methyl)-3-methylbenzenemethanol hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-((2-(Dimethylamino)ethoxy)methyl)-3-methylbenzenemethanol hydrochloride 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 alpha-((2-(Dimethylamino)ethoxy)methyl)-3-methylbenzenemethanol hydrochloride is 131961-22-3.
The molecular formula of alpha-((2-(Dimethylamino)ethoxy)methyl)-3-methylbenzenemethanol hydrochloride is C13H22ClNO2.
The molecular weight of alpha-((2-(Dimethylamino)ethoxy)methyl)-3-methylbenzenemethanol hydrochloride is 259.1339 g/mol.
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