TL;DR: N-(3,4-diethoxybenzyl)-1-(furan-2-yl)methanamine hydrochloride (CAS 1158484-19-5) is a chemical compound with molecular formula C16H22ClNO3 and molecular weight 311.1288 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3,4-diethoxyphenyl)-N-(furan-2-ylmethyl)methanamine;hydrochloride
Also Known As: 1-(3,4-diethoxyphenyl)-N-(2-furylmethyl)methanamine Hydrochloride, N-(3,4-diethoxybenzyl)-1-(furan-2-yl)methanamine hydrochloride, 1-(3,4-diethoxyphenyl)-N-(furan-2-ylmethyl)methanamine hydrochloride
| Molecular Formula | C16H22ClNO3 |
| Molecular Weight | 311.1288 g/mol |
| XLogP | 3.7886 |
| Topological Polar Surface Area (TPSA) | 43.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 311.1288 Da |
| Heavy Atoms | 21 |
| Complexity | 262.0 |
| SMILES | CCOC1=C(C=C(C=C1)CNCC2=CC=CO2)OCC.Cl |
| InChIKey | GQEKPSVUBSQLMA-UHFFFAOYSA-N |
The XLogP value of 3.7886 indicates that N-(3,4-diethoxybenzyl)-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 43.6 Ų, N-(3,4-diethoxybenzyl)-1-(furan-2-yl)methanamine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3,4-diethoxybenzyl)-1-(furan-2-yl)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 N-(3,4-diethoxybenzyl)-1-(furan-2-yl)methanamine hydrochloride is 1158484-19-5.
The molecular formula of N-(3,4-diethoxybenzyl)-1-(furan-2-yl)methanamine hydrochloride is C16H22ClNO3.
The molecular weight of N-(3,4-diethoxybenzyl)-1-(furan-2-yl)methanamine hydrochloride is 311.1288 g/mol.
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