TL;DR: N-(3-methoxy-4-(thiophen-2-ylmethoxy)benzyl)prop-2-en-1-amine hydrochloride (CAS 1158500-62-9) is a chemical compound with molecular formula C16H20ClNO2S and molecular weight 325.09033 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]prop-2-en-1-amine;hydrochloride
Also Known As: N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]prop-2-en-1-amine Hydrochloride, N-(3-methoxy-4-(thiophen-2-ylmethoxy)benzyl)prop-2-en-1-amine hydrochloride
| Molecular Formula | C16H20ClNO2S |
| Molecular Weight | 325.09033 g/mol |
| XLogP | 4.0331 |
| Topological Polar Surface Area (TPSA) | 58.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 325.09033 Da |
| Heavy Atoms | 21 |
| Complexity | 288.0 |
| SMILES | COC1=C(C=CC(=C1)CNCC=C)OCC2=CC=CS2.Cl |
| InChIKey | GMPKBVYTJUMFBE-UHFFFAOYSA-N |
The XLogP value of 4.0331 indicates that N-(3-methoxy-4-(thiophen-2-ylmethoxy)benzyl)prop-2-en-1-amine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.7 Ų, N-(3-methoxy-4-(thiophen-2-ylmethoxy)benzyl)prop-2-en-1-amine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-methoxy-4-(thiophen-2-ylmethoxy)benzyl)prop-2-en-1-amine 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-methoxy-4-(thiophen-2-ylmethoxy)benzyl)prop-2-en-1-amine hydrochloride is 1158500-62-9.
The molecular formula of N-(3-methoxy-4-(thiophen-2-ylmethoxy)benzyl)prop-2-en-1-amine hydrochloride is C16H20ClNO2S.
The molecular weight of N-(3-methoxy-4-(thiophen-2-ylmethoxy)benzyl)prop-2-en-1-amine hydrochloride is 325.09033 g/mol.
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