TL;DR: Cyclohexanemethylamine, N-(2-chloroethyl)-N-ethyl-1-phenyl-, hydrochloride (CAS 101564-53-8) is a chemical compound with molecular formula C17H27Cl2N and molecular weight 315.15207 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-N-ethyl-N-[(1-phenylcyclohexyl)methyl]ethanamine;hydrochloride
Also Known As: Cyclohexanemethylamine, N-(2-chloroethyl)-N-ethyl-1-phenyl-, hydrochloride, N-(2-Chloroethyl)-N-ethyl-1-phenylcyclohexanemethylamine hydrochloride, 1-Phenyl-1-(N-(2-chloroethyl)-N-ethylaminomethyl)cyclohexane, hydrochloride, 2-chloro-N-ethyl-N-[(1-phenylcyclohexyl)methyl]ethanamine hydrochloride, 2-Chloro-N-ethyl-N-[(1-phenylcyclohexyl)methyl]ethan-1-amine--hydrogen chloride (1/1)
| Molecular Formula | C17H27Cl2N |
| Molecular Weight | 315.15207 g/mol |
| XLogP | 4.871 |
| Topological Polar Surface Area (TPSA) | 3.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 315.15207 Da |
| Heavy Atoms | 20 |
| Complexity | 242.0 |
| SMILES | CCN(CCCl)CC1(CCCCC1)C2=CC=CC=C2.Cl |
| InChIKey | DQGPVODLNNPRPI-UHFFFAOYSA-N |
The XLogP value of 4.871 indicates that Cyclohexanemethylamine, N-(2-chloroethyl)-N-ethyl-1-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, Cyclohexanemethylamine, N-(2-chloroethyl)-N-ethyl-1-phenyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanemethylamine, N-(2-chloroethyl)-N-ethyl-1-phenyl-, hydrochloride has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Cyclohexanemethylamine, N-(2-chloroethyl)-N-ethyl-1-phenyl-, hydrochloride is 101564-53-8.
The molecular formula of Cyclohexanemethylamine, N-(2-chloroethyl)-N-ethyl-1-phenyl-, hydrochloride is C17H27Cl2N.
The molecular weight of Cyclohexanemethylamine, N-(2-chloroethyl)-N-ethyl-1-phenyl-, hydrochloride is 315.15207 g/mol.
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