TL;DR: 2-[[(2-methyl-2-adamantyl)methylamino]methyl]phenol;hydrochloride (CAS 1052518-41-8) is a chemical compound with molecular formula C19H28ClNO and molecular weight 321.18594 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[(2-methyl-2-adamantyl)methylamino]methyl]phenol;hydrochloride
Also Known As: 2-[[(2-methyl-2-adamantyl)methylamino]methyl]phenol;hydrochloride, F3084-0122, 2-(((((1r,3r,5r,7r)-2-methyladamantan-2-yl)methyl)amino)methyl)phenol hydrochloride, 2-[[(2-methyl-2-adamantyl)methylamino]methyl]phenol Hydrochloride, 2-({[(2-METHYLADAMANTAN-2-YL)METHYL]AMINO}METHYL)PHENOL HYDROCHLORIDE
| Molecular Formula | C19H28ClNO |
| Molecular Weight | 321.18594 g/mol |
| XLogP | 4.366 |
| Topological Polar Surface Area (TPSA) | 32.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.18594 Da |
| Heavy Atoms | 22 |
| Complexity | 352.0 |
| SMILES | CC1(C2CC3CC(C2)CC1C3)CNCC4=CC=CC=C4O.Cl |
| InChIKey | VFAYQZWLGBSMMD-UHFFFAOYSA-N |
The XLogP value of 4.366 indicates that 2-[[(2-methyl-2-adamantyl)methylamino]methyl]phenol;hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, 2-[[(2-methyl-2-adamantyl)methylamino]methyl]phenol;hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[[(2-methyl-2-adamantyl)methylamino]methyl]phenol;hydrochloride has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[[(2-methyl-2-adamantyl)methylamino]methyl]phenol;hydrochloride is 1052518-41-8.
The molecular formula of 2-[[(2-methyl-2-adamantyl)methylamino]methyl]phenol;hydrochloride is C19H28ClNO.
The molecular weight of 2-[[(2-methyl-2-adamantyl)methylamino]methyl]phenol;hydrochloride is 321.18594 g/mol.
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