TL;DR: 1-Phenyl-2-[(thiophen-2-ylmethyl)-amino]-ethanol hydrochloride (CAS 1049803-03-3) is a chemical compound with molecular formula C13H16ClNOS and molecular weight 269.06412 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-phenyl-2-(thiophen-2-ylmethylamino)ethanol;hydrochloride
Also Known As: 1-PHENYL-2-[(THIOPHEN-2-YLMETHYL)-AMINO]-ETHANOL HYDROCHLORIDE, 1-phenyl-2-(thiophen-2-ylmethylamino)ethanol Hydrochloride, 1-phenyl-2-(thiophen-2-ylmethylamino)ethanol;hydrochloride, 1-phenyl-2-[(thiophen-2-ylmethyl)amino]ethanol hydrochloride, 1-Phenyl-2-((thiophen-2-ylmethyl)amino)ethan-1-ol hydrochloride
| Molecular Formula | C13H16ClNOS |
| Molecular Weight | 269.06412 g/mol |
| XLogP | 2.9931 |
| Topological Polar Surface Area (TPSA) | 60.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 269.06412 Da |
| Heavy Atoms | 17 |
| Complexity | 194.0 |
| SMILES | C1=CC=C(C=C1)C(CNCC2=CC=CS2)O.Cl |
| InChIKey | CYXVBMUYLHZKAF-UHFFFAOYSA-N |
The XLogP value of 2.9931 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-2-[(thiophen-2-ylmethyl)-amino]-ethanol hydrochloride. The TPSA of 60.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Phenyl-2-[(thiophen-2-ylmethyl)-amino]-ethanol hydrochloride. Following Lipinski's Rule of Five, 1-Phenyl-2-[(thiophen-2-ylmethyl)-amino]-ethanol hydrochloride has 3 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-Phenyl-2-[(thiophen-2-ylmethyl)-amino]-ethanol hydrochloride is 1049803-03-3.
The molecular formula of 1-Phenyl-2-[(thiophen-2-ylmethyl)-amino]-ethanol hydrochloride is C13H16ClNOS.
The molecular weight of 1-Phenyl-2-[(thiophen-2-ylmethyl)-amino]-ethanol hydrochloride is 269.06412 g/mol.
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