TL;DR: 1-((3r,5r,7r)-adamantan-1-yl)-2-((2-hydroxyethyl)amino)propan-1-one hydrochloride (CAS 1052527-22-6) is a chemical compound with molecular formula C15H26ClNO2 and molecular weight 287.1652 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1-adamantyl)-2-(2-hydroxyethylamino)propan-1-one;hydrochloride
Also Known As: 1-((3r,5r,7r)-adamantan-1-yl)-2-((2-hydroxyethyl)amino)propan-1-one hydrochloride, 1-(1-adamantyl)-2-(2-hydroxyethylamino)propan-1-one hydrochloride
| Molecular Formula | C15H26ClNO2 |
| Molecular Weight | 287.1652 g/mol |
| XLogP | 2.1641 |
| Topological Polar Surface Area (TPSA) | 49.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.1652 Da |
| Heavy Atoms | 19 |
| Complexity | 298.0 |
| SMILES | CC(C(=O)C12CC3CC(C1)CC(C3)C2)NCCO.Cl |
| InChIKey | XVCULCGIIXELFI-UHFFFAOYSA-N |
The XLogP value of 2.1641 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((3r,5r,7r)-adamantan-1-yl)-2-((2-hydroxyethyl)amino)propan-1-one hydrochloride. With a topological polar surface area (TPSA) of 49.3 Ų, 1-((3r,5r,7r)-adamantan-1-yl)-2-((2-hydroxyethyl)amino)propan-1-one hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((3r,5r,7r)-adamantan-1-yl)-2-((2-hydroxyethyl)amino)propan-1-one 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-((3r,5r,7r)-adamantan-1-yl)-2-((2-hydroxyethyl)amino)propan-1-one hydrochloride is 1052527-22-6.
The molecular formula of 1-((3r,5r,7r)-adamantan-1-yl)-2-((2-hydroxyethyl)amino)propan-1-one hydrochloride is C15H26ClNO2.
The molecular weight of 1-((3r,5r,7r)-adamantan-1-yl)-2-((2-hydroxyethyl)amino)propan-1-one hydrochloride is 287.1652 g/mol.
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