TL;DR: Adamantane, 1-(3-dimethylaminopropyl)-2-phenyl-, hydrochloride (CAS 52583-04-7) is a chemical compound with molecular formula C21H32ClN and molecular weight 333.22232 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-dimethyl-3-(2-phenyl-1-adamantyl)propan-1-amine;hydrochloride
Also Known As: ADAMANTANE, 1-(3-DIMETHYLAMINOPROPYL)-2-PHENYL-, HYDROCHLORIDE, N,N-dimethyl-3-(2-phenyl-1-adamantyl)propan-1-amine hydrochloride, Propylamine, N,N-dimethyl-3-(2-phenyl-1-adamantyl)-, hydrochloride, N,N-Dimethyl-3-(2-phenyladamantan-1-yl)propan-1-amine--hydrogen chloride (1/1), Tricyclo[3.3.1.13,7]decane-1-propanamine, N,N-dimethyl-2-phenyl-, hydrochloride
| Molecular Formula | C21H32ClN |
| Molecular Weight | 333.22232 g/mol |
| XLogP | 5.36 |
| Topological Polar Surface Area (TPSA) | 3.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.22232 Da |
| Heavy Atoms | 23 |
| Complexity | 367.0 |
| SMILES | CN(C)CCCC12CC3CC(C1)CC(C3)C2C4=CC=CC=C4.Cl |
| InChIKey | OLNLBYCEMYGFIP-UHFFFAOYSA-N |
The XLogP value of 5.36 indicates that Adamantane, 1-(3-dimethylaminopropyl)-2-phenyl-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, Adamantane, 1-(3-dimethylaminopropyl)-2-phenyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Adamantane, 1-(3-dimethylaminopropyl)-2-phenyl-, hydrochloride has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Adamantane, 1-(3-dimethylaminopropyl)-2-phenyl-, hydrochloride is 52583-04-7.
The molecular formula of Adamantane, 1-(3-dimethylaminopropyl)-2-phenyl-, hydrochloride is C21H32ClN.
The molecular weight of Adamantane, 1-(3-dimethylaminopropyl)-2-phenyl-, hydrochloride is 333.22232 g/mol.
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