TL;DR: N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine dihydrochloride (CAS 1052411-09-2) is a chemical compound with molecular formula C19H26Cl3FN2O2 and molecular weight 438.1044 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine;dihydrochloride
Also Known As: N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine dihydrochloride, N1-(4-((2-chloro-6-fluorobenzyl)oxy)-3-methoxybenzyl)-N2,N2-dimethylethane-1,2-diamine dihydrochloride
| Molecular Formula | C19H26Cl3FN2O2 |
| Molecular Weight | 438.1044 g/mol |
| XLogP | 4.5615 |
| Topological Polar Surface Area (TPSA) | 33.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 438.1044 Da |
| Heavy Atoms | 27 |
| Complexity | 375.0 |
| SMILES | CN(C)CCNCC1=CC(=C(C=C1)OCC2=C(C=CC=C2Cl)F)OC.Cl.Cl |
| InChIKey | MSMUYXYBTHYPSG-UHFFFAOYSA-N |
The XLogP value of 4.5615 indicates that N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.7 Ų, N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine dihydrochloride has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine dihydrochloride is 1052411-09-2.
The molecular formula of N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine dihydrochloride is C19H26Cl3FN2O2.
The molecular weight of N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine dihydrochloride is 438.1044 g/mol.
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