TL;DR: 1-(5-(3-chloro-4-fluorophenyl)furan-2-yl)-N-(pyridin-4-ylmethyl)methanamine hydrochloride (CAS 1049715-76-5) is a chemical compound with molecular formula C17H15Cl2FN2O and molecular weight 352.05453 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
Also Known As: 1-(5-(3-chloro-4-fluorophenyl)furan-2-yl)-N-(pyridin-4-ylmethyl)methanamine hydrochloride, 1-[5-(3-chloro-4-fluoro-phenyl)-2-furyl]-N-(pyridin-4-ylmethyl)methanamine Hydrochloride, N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine hydrochloride
| Molecular Formula | C17H15Cl2FN2O |
| Molecular Weight | 352.05453 g/mol |
| XLogP | 4.8457 |
| Topological Polar Surface Area (TPSA) | 38.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.05453 Da |
| Heavy Atoms | 23 |
| Complexity | 341.0 |
| SMILES | C1=CC(=C(C=C1C2=CC=C(O2)CNCC3=CC=NC=C3)Cl)F.Cl |
| InChIKey | HNSPQGMRIDQOGM-UHFFFAOYSA-N |
The XLogP value of 4.8457 indicates that 1-(5-(3-chloro-4-fluorophenyl)furan-2-yl)-N-(pyridin-4-ylmethyl)methanamine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.1 Ų, 1-(5-(3-chloro-4-fluorophenyl)furan-2-yl)-N-(pyridin-4-ylmethyl)methanamine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-(3-chloro-4-fluorophenyl)furan-2-yl)-N-(pyridin-4-ylmethyl)methanamine hydrochloride has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(5-(3-chloro-4-fluorophenyl)furan-2-yl)-N-(pyridin-4-ylmethyl)methanamine hydrochloride is 1049715-76-5.
The molecular formula of 1-(5-(3-chloro-4-fluorophenyl)furan-2-yl)-N-(pyridin-4-ylmethyl)methanamine hydrochloride is C17H15Cl2FN2O.
The molecular weight of 1-(5-(3-chloro-4-fluorophenyl)furan-2-yl)-N-(pyridin-4-ylmethyl)methanamine hydrochloride is 352.05453 g/mol.
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