TL;DR: alpha-(Aminomethyl)-2,6-difluoro-3,4-dimethoxybenzenemethanol (CAS 152435-00-2) is a chemical compound with molecular formula C10H13F2NO3 and molecular weight 233.08635 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-1-(2,6-difluoro-3,4-dimethoxyphenyl)ethanol
Also Known As: 2-Amino-1-(2,6-difluoro-3,4-dimethoxyphenyl)ethanol, 2-Amino-1-(2,6-difluoro-3,4-dimethoxyphenyl)ethanol #, Benzenemethanol, alpha-(aminomethyl)-2,6-difluoro-3,4-dimethoxy-, 2-Amino-1-(2,6-difluoro-3,4-dimethoxyphenyl)ethan-1-ol, alpha-(Aminomethyl)-2,6-difluoro-3,4-dimethoxybenzenemethanol
| Molecular Formula | C10H13F2NO3 |
| Molecular Weight | 233.08635 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 64.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.08635 Da |
| Heavy Atoms | 16 |
| Complexity | 220.0 |
| SMILES | COC1=CC(=C(C(=C1OC)F)C(CN)O)F |
| InChIKey | PCKFMFPNBSJPMB-UHFFFAOYSA-N |
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-(Aminomethyl)-2,6-difluoro-3,4-dimethoxybenzenemethanol. The TPSA of 64.7 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-(Aminomethyl)-2,6-difluoro-3,4-dimethoxybenzenemethanol. Following Lipinski's Rule of Five, alpha-(Aminomethyl)-2,6-difluoro-3,4-dimethoxybenzenemethanol has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of alpha-(Aminomethyl)-2,6-difluoro-3,4-dimethoxybenzenemethanol is 152435-00-2.
The molecular formula of alpha-(Aminomethyl)-2,6-difluoro-3,4-dimethoxybenzenemethanol is C10H13F2NO3.
The molecular weight of alpha-(Aminomethyl)-2,6-difluoro-3,4-dimethoxybenzenemethanol is 233.08635 g/mol.
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