TL;DR: Benzylamine, N-(2-chloroethyl)-N-(2-methoxyphenoxyethyl)-, hydrochloride (CAS 63991-10-6) is a chemical compound with molecular formula C18H23Cl2NO2 and molecular weight 355.1106 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl-(2-chloroethyl)-[2-(2-methoxyphenoxy)ethyl]azanium chloride
Also Known As: 2-Methoxyphenoxyethylbenzyl-beta-chloroethylamine hydrochloride, BENZYLAMINE, N-(2-CHLOROETHYL)-N-(2-METHOXYPHENOXYETHYL)-, HYDROCHLORIDE, N-(2-Chloroethyl)-N-(2-(o-methoxyphenoxy)ethyl)benzylamine hydrochloride, 2-Chloroethyl-[2-(2-methoxyphenoxy)ethyl]-(phenylmethyl)azanium chloride, benzyl-(2-chloroethyl)-[2-(2-methoxyphenoxy)ethyl]azanium chloride
| Molecular Formula | C18H23Cl2NO2 |
| Molecular Weight | 355.1106 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 22.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 355.1106 Da |
| Heavy Atoms | 23 |
| Complexity | 284.0 |
| SMILES | COC1=CC=CC=C1OCC[NH+](CCCl)CC2=CC=CC=C2.[Cl-] |
| InChIKey | GLHXHBYDPQRLGS-UHFFFAOYSA-N |
The XLogP value of -0.6 indicates that Benzylamine, N-(2-chloroethyl)-N-(2-methoxyphenoxyethyl)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 22.9 Ų, Benzylamine, N-(2-chloroethyl)-N-(2-methoxyphenoxyethyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzylamine, N-(2-chloroethyl)-N-(2-methoxyphenoxyethyl)-, hydrochloride has 1 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 Benzylamine, N-(2-chloroethyl)-N-(2-methoxyphenoxyethyl)-, hydrochloride is 63991-10-6.
The molecular formula of Benzylamine, N-(2-chloroethyl)-N-(2-methoxyphenoxyethyl)-, hydrochloride is C18H23Cl2NO2.
The molecular weight of Benzylamine, N-(2-chloroethyl)-N-(2-methoxyphenoxyethyl)-, hydrochloride is 355.1106 g/mol.
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