TL;DR: N-Methyl-3-(2-phenyladamantan-1-yl)propan-1-amine--hydrogen chloride (1/1) (CAS 52583-03-6) is a chemical compound with molecular formula C20H30ClN and molecular weight 319.20667 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-methyl-3-(2-phenyl-1-adamantyl)propan-1-amine;hydrochloride
Also Known As: ADAMANTANE, 1-(3-METHYLAMINOPROPYL)-2-PHENYL-, HYDROCHLORIDE, N-methyl-3-(2-phenyl-1-adamantyl)propan-1-amine hydrochloride, Propylamine, N-methyl-3-(2-phenyl-1-adamantyl)-, hydrochloride, N-Methyl-3-(2-phenyladamantan-1-yl)propan-1-amine--hydrogen chloride (1/1), Tricyclo[3.3.1.13,7]decane-1-propanamine, N-methyl-2-phenyl-, hydrochloride
| Molecular Formula | C20H30ClN |
| Molecular Weight | 319.20667 g/mol |
| XLogP | 5.02 |
| Topological Polar Surface Area (TPSA) | 12.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.20667 Da |
| Heavy Atoms | 22 |
| Complexity | 343.0 |
| SMILES | CNCCCC12CC3CC(C1)CC(C3)C2C4=CC=CC=C4.Cl |
| InChIKey | DDRGWEZDDZXEBZ-UHFFFAOYSA-N |
The XLogP value of 5.02 indicates that N-Methyl-3-(2-phenyladamantan-1-yl)propan-1-amine--hydrogen chloride (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, N-Methyl-3-(2-phenyladamantan-1-yl)propan-1-amine--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methyl-3-(2-phenyladamantan-1-yl)propan-1-amine--hydrogen chloride (1/1) has 2 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-Methyl-3-(2-phenyladamantan-1-yl)propan-1-amine--hydrogen chloride (1/1) is 52583-03-6.
The molecular formula of N-Methyl-3-(2-phenyladamantan-1-yl)propan-1-amine--hydrogen chloride (1/1) is C20H30ClN.
The molecular weight of N-Methyl-3-(2-phenyladamantan-1-yl)propan-1-amine--hydrogen chloride (1/1) is 319.20667 g/mol.
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