TL;DR: 1,4-Cyclohexanebis(methylamine), N,N'-bis(2-fluorobenzyl)-, dihydrochloride (CAS 27501-42-4) is a chemical compound with molecular formula C22H30Cl2F2N2 and molecular weight 430.1754 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(2-fluorophenyl)methyl]-1-[4-[[(2-fluorophenyl)methylamino]methyl]cyclohexyl]methanamine;dihydrochloride
Also Known As: 1,4-Cyclohexanebis(methylamine), N,N'-bis(2-fluorobenzyl)-, dihydrochloride, N,N'-Bis(2-fluorobenzyl)-1,4-cyclohexanebis(methylamine) dihydrochloride, Benzylamine, N,N'-(1,4-cyclohexylenedimethylene)bis(2-fluoro-, dihydrochloride, N,N'-(1,4-Cyclohexylenedimethylene)bis(2-fluorobenzylamine) dihydrochloride, cyclohexane-1,4-diylbis[n-(2-fluorobenzyl)methanamine] dihydrochloride
| Molecular Formula | C22H30Cl2F2N2 |
| Molecular Weight | 430.1754 g/mol |
| XLogP | 5.49 |
| Topological Polar Surface Area (TPSA) | 24.1 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 430.1754 Da |
| Heavy Atoms | 28 |
| Complexity | 348.0 |
| SMILES | C1CC(CCC1CNCC2=CC=CC=C2F)CNCC3=CC=CC=C3F.Cl.Cl |
| InChIKey | AFCLFDKFCDBXOH-UHFFFAOYSA-N |
The XLogP value of 5.49 indicates that 1,4-Cyclohexanebis(methylamine), N,N'-bis(2-fluorobenzyl)-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.1 Ų, 1,4-Cyclohexanebis(methylamine), N,N'-bis(2-fluorobenzyl)-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Cyclohexanebis(methylamine), N,N'-bis(2-fluorobenzyl)-, dihydrochloride has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,4-Cyclohexanebis(methylamine), N,N'-bis(2-fluorobenzyl)-, dihydrochloride is 27501-42-4.
The molecular formula of 1,4-Cyclohexanebis(methylamine), N,N'-bis(2-fluorobenzyl)-, dihydrochloride is C22H30Cl2F2N2.
The molecular weight of 1,4-Cyclohexanebis(methylamine), N,N'-bis(2-fluorobenzyl)-, dihydrochloride is 430.1754 g/mol.
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