TL;DR: N-benzyl-1-(3-methoxy-4-(thiophen-2-ylmethoxy)phenyl)methanamine hydrochloride (CAS 1052517-03-9) is a chemical compound with molecular formula C20H22ClNO2S and molecular weight 375.106 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]-1-phenylmethanamine;hydrochloride
Also Known As: N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-phenylmethanamine hydrochloride, N-benzyl-1-(3-methoxy-4-(thiophen-2-ylmethoxy)phenyl)methanamine hydrochloride, N-benzyl-1-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methanamine Hydrochloride
| Molecular Formula | C20H22ClNO2S |
| Molecular Weight | 375.106 g/mol |
| XLogP | 5.0473 |
| Topological Polar Surface Area (TPSA) | 58.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 375.106 Da |
| Heavy Atoms | 25 |
| Complexity | 349.0 |
| SMILES | COC1=C(C=CC(=C1)CNCC2=CC=CC=C2)OCC3=CC=CS3.Cl |
| InChIKey | MGQMTLJVJVDQFR-UHFFFAOYSA-N |
The XLogP value of 5.0473 indicates that N-benzyl-1-(3-methoxy-4-(thiophen-2-ylmethoxy)phenyl)methanamine 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-benzyl-1-(3-methoxy-4-(thiophen-2-ylmethoxy)phenyl)methanamine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-1-(3-methoxy-4-(thiophen-2-ylmethoxy)phenyl)methanamine hydrochloride has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-benzyl-1-(3-methoxy-4-(thiophen-2-ylmethoxy)phenyl)methanamine hydrochloride is 1052517-03-9.
The molecular formula of N-benzyl-1-(3-methoxy-4-(thiophen-2-ylmethoxy)phenyl)methanamine hydrochloride is C20H22ClNO2S.
The molecular weight of N-benzyl-1-(3-methoxy-4-(thiophen-2-ylmethoxy)phenyl)methanamine hydrochloride is 375.106 g/mol.
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