TL;DR: N-(3,5-dichloro-2-methoxybenzyl)-1-(furan-2-yl)methanamine hydrochloride (CAS 1158794-57-0) is a chemical compound with molecular formula C13H14Cl3NO2 and molecular weight 321.009 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine;hydrochloride
Also Known As: N-(3,5-dichloro-2-methoxybenzyl)-1-(furan-2-yl)methanamine hydrochloride, 1-(3,5-dichloro-2-methoxy-phenyl)-N-(2-furylmethyl)methanamine Hydrochloride, N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine hydrochloride
| Molecular Formula | C13H14Cl3NO2 |
| Molecular Weight | 321.009 g/mol |
| XLogP | 4.3066 |
| Topological Polar Surface Area (TPSA) | 34.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.009 Da |
| Heavy Atoms | 19 |
| Complexity | 255.0 |
| SMILES | COC1=C(C=C(C=C1Cl)Cl)CNCC2=CC=CO2.Cl |
| InChIKey | RPOHVGOLCGRDCU-UHFFFAOYSA-N |
The XLogP value of 4.3066 indicates that N-(3,5-dichloro-2-methoxybenzyl)-1-(furan-2-yl)methanamine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.4 Ų, N-(3,5-dichloro-2-methoxybenzyl)-1-(furan-2-yl)methanamine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3,5-dichloro-2-methoxybenzyl)-1-(furan-2-yl)methanamine hydrochloride has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(3,5-dichloro-2-methoxybenzyl)-1-(furan-2-yl)methanamine hydrochloride is 1158794-57-0.
The molecular formula of N-(3,5-dichloro-2-methoxybenzyl)-1-(furan-2-yl)methanamine hydrochloride is C13H14Cl3NO2.
The molecular weight of N-(3,5-dichloro-2-methoxybenzyl)-1-(furan-2-yl)methanamine hydrochloride is 321.009 g/mol.
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