TL;DR: Benzenemethanol, alpha-((2-(dimethylamino)-2-methylpropoxy)methyl)-4-(phenylmethoxy)-, hydrochloride (CAS 131962-19-1) is a chemical compound with molecular formula C21H30ClNO3 and molecular weight 379.1914 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(dimethylamino)-2-methylpropoxy]-1-(4-phenylmethoxyphenyl)ethanol;hydrochloride
Also Known As: Benzenemethanol, alpha-((2-(dimethylamino)-2-methylpropoxy)methyl)-4-(phenylmethoxy)-, hydrochloride, 2-(2-dimethylamino-2-methyl-propoxy)-1-(4-phenylmethoxyphenyl)ethanol Hydrochloride, 2-[2-(dimethylamino)-2-methylpropoxy]-1-(4-phenylmethoxyphenyl)ethanol hydrochloride, 1-[4-(Benzyloxy)phenyl]-2-[2-(dimethylamino)-2-methylpropoxy]ethan-1-ol--hydrogen chloride (1/1)
| Molecular Formula | C21H30ClNO3 |
| Molecular Weight | 379.1914 g/mol |
| XLogP | 4.0776 |
| Topological Polar Surface Area (TPSA) | 41.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 379.1914 Da |
| Heavy Atoms | 26 |
| Complexity | 358.0 |
| SMILES | CC(C)(COCC(C1=CC=C(C=C1)OCC2=CC=CC=C2)O)N(C)C.Cl |
| InChIKey | NFYHHKCMRHRTPR-UHFFFAOYSA-N |
The XLogP value of 4.0776 indicates that Benzenemethanol, alpha-((2-(dimethylamino)-2-methylpropoxy)methyl)-4-(phenylmethoxy)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.9 Ų, Benzenemethanol, alpha-((2-(dimethylamino)-2-methylpropoxy)methyl)-4-(phenylmethoxy)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanol, alpha-((2-(dimethylamino)-2-methylpropoxy)methyl)-4-(phenylmethoxy)-, 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 Benzenemethanol, alpha-((2-(dimethylamino)-2-methylpropoxy)methyl)-4-(phenylmethoxy)-, hydrochloride is 131962-19-1.
The molecular formula of Benzenemethanol, alpha-((2-(dimethylamino)-2-methylpropoxy)methyl)-4-(phenylmethoxy)-, hydrochloride is C21H30ClNO3.
The molecular weight of Benzenemethanol, alpha-((2-(dimethylamino)-2-methylpropoxy)methyl)-4-(phenylmethoxy)-, hydrochloride is 379.1914 g/mol.
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