TL;DR: 2-Chloro-N,N-bis[2-(4-methylphenoxy)ethyl]ethan-1-amine (CAS 120209-18-9) is a chemical compound with molecular formula C20H26ClNO2 and molecular weight 347.1652 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-chloroethyl)-2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine
Also Known As: 2-Chloro-N,N-bis[2-(4-methylphenoxy)ethyl]ethan-1-amine, 2-chloro-n,n-bis[2-(4-methylphenoxy)ethyl]ethanamine, 2-Chloro-bis-N-(4-methylphenoxyethyl)ethylamine hydrochloride, N-(2-chloroethyl)-2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine, Ethanamine, 2-chloro-N,N-bis[2-(4-methylphenoxy)ethyl]-, hydrochloride
| Molecular Formula | C20H26ClNO2 |
| Molecular Weight | 347.1652 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 347.1652 Da |
| Heavy Atoms | 24 |
| Complexity | 285.0 |
| SMILES | CC1=CC=C(C=C1)OCCN(CCOC2=CC=C(C=C2)C)CCCl |
| InChIKey | WGCKSPVUMKCVFU-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that 2-Chloro-N,N-bis[2-(4-methylphenoxy)ethyl]ethan-1-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.7 Ų, 2-Chloro-N,N-bis[2-(4-methylphenoxy)ethyl]ethan-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-N,N-bis[2-(4-methylphenoxy)ethyl]ethan-1-amine has 0 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 2-Chloro-N,N-bis[2-(4-methylphenoxy)ethyl]ethan-1-amine is 120209-18-9.
The molecular formula of 2-Chloro-N,N-bis[2-(4-methylphenoxy)ethyl]ethan-1-amine is C20H26ClNO2.
The molecular weight of 2-Chloro-N,N-bis[2-(4-methylphenoxy)ethyl]ethan-1-amine is 347.1652 g/mol.
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