TL;DR: N-(2-((4-chlorobenzyl)oxy)-3-methoxybenzyl)-1-(pyridin-4-yl)methanamine hydrochloride (CAS 1051363-99-5) is a chemical compound with molecular formula C21H22Cl2N2O2 and molecular weight 404.10583 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
Also Known As: N-(2-((4-chlorobenzyl)oxy)-3-methoxybenzyl)-1-(pyridin-4-yl)methanamine hydrochloride, 1-[2-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]-N-(pyridin-4-ylmethyl)methanamine Hydrochloride, N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine hydrochloride
| Molecular Formula | C21H22Cl2N2O2 |
| Molecular Weight | 404.10583 g/mol |
| XLogP | 5.0342 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 404.10583 Da |
| Heavy Atoms | 27 |
| Complexity | 384.0 |
| SMILES | COC1=CC=CC(=C1OCC2=CC=C(C=C2)Cl)CNCC3=CC=NC=C3.Cl |
| InChIKey | JIZVFYDOUNRMPD-UHFFFAOYSA-N |
The XLogP value of 5.0342 indicates that N-(2-((4-chlorobenzyl)oxy)-3-methoxybenzyl)-1-(pyridin-4-yl)methanamine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, N-(2-((4-chlorobenzyl)oxy)-3-methoxybenzyl)-1-(pyridin-4-yl)methanamine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-((4-chlorobenzyl)oxy)-3-methoxybenzyl)-1-(pyridin-4-yl)methanamine hydrochloride has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-(2-((4-chlorobenzyl)oxy)-3-methoxybenzyl)-1-(pyridin-4-yl)methanamine hydrochloride is 1051363-99-5.
The molecular formula of N-(2-((4-chlorobenzyl)oxy)-3-methoxybenzyl)-1-(pyridin-4-yl)methanamine hydrochloride is C21H22Cl2N2O2.
The molecular weight of N-(2-((4-chlorobenzyl)oxy)-3-methoxybenzyl)-1-(pyridin-4-yl)methanamine hydrochloride is 404.10583 g/mol.
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