TL;DR: N-(2-((2-chlorobenzyl)oxy)benzyl)-1-(pyridin-3-yl)methanamine hydrochloride (CAS 1052516-99-0) is a chemical compound with molecular formula C20H20Cl2N2O and molecular weight 374.09528 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-pyridin-3-ylmethanamine;hydrochloride
Also Known As: 1-[2-[(2-chlorophenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine Hydrochloride, N-(2-((2-chlorobenzyl)oxy)benzyl)-1-(pyridin-3-yl)methanamine hydrochloride, N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-pyridin-3-ylmethanamine hydrochloride
| Molecular Formula | C20H20Cl2N2O |
| Molecular Weight | 374.09528 g/mol |
| XLogP | 5.0256 |
| Topological Polar Surface Area (TPSA) | 34.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 374.09528 Da |
| Heavy Atoms | 25 |
| Complexity | 355.0 |
| SMILES | C1=CC=C(C(=C1)CNCC2=CN=CC=C2)OCC3=CC=CC=C3Cl.Cl |
| InChIKey | VLAFUWCPLPOHMP-UHFFFAOYSA-N |
The XLogP value of 5.0256 indicates that N-(2-((2-chlorobenzyl)oxy)benzyl)-1-(pyridin-3-yl)methanamine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.2 Ų, N-(2-((2-chlorobenzyl)oxy)benzyl)-1-(pyridin-3-yl)methanamine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-((2-chlorobenzyl)oxy)benzyl)-1-(pyridin-3-yl)methanamine hydrochloride has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-(2-((2-chlorobenzyl)oxy)benzyl)-1-(pyridin-3-yl)methanamine hydrochloride is 1052516-99-0.
The molecular formula of N-(2-((2-chlorobenzyl)oxy)benzyl)-1-(pyridin-3-yl)methanamine hydrochloride is C20H20Cl2N2O.
The molecular weight of N-(2-((2-chlorobenzyl)oxy)benzyl)-1-(pyridin-3-yl)methanamine hydrochloride is 374.09528 g/mol.
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