TL;DR: [2-(3,4-Dimethoxyphenyl)ethyl][(thiophen-2-yl)methyl]amine hydrochloride (CAS 1052411-86-5) is a chemical compound with molecular formula C15H20ClNO2S and molecular weight 313.09033 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
Also Known As: [2-(3,4-dimethoxyphenyl)ethyl][(thiophen-2-yl)methyl]amine hydrochloride, 2-(3,4-dimethoxyphenyl)-N-(2-thienylmethyl)ethanamine;hydrochloride, [2-(3,4-Dimethoxyphenyl)ethyl](thiophen-2-ylmethyl)amine hydrochloride, 2-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine Hydrochloride
| Molecular Formula | C15H20ClNO2S |
| Molecular Weight | 313.09033 g/mol |
| XLogP | 3.5194 |
| Topological Polar Surface Area (TPSA) | 58.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 313.09033 Da |
| Heavy Atoms | 20 |
| Complexity | 252.0 |
| SMILES | COC1=C(C=C(C=C1)CCNCC2=CC=CS2)OC.Cl |
| InChIKey | AXXNXYZIEYZLKX-UHFFFAOYSA-N |
The XLogP value of 3.5194 indicates that [2-(3,4-Dimethoxyphenyl)ethyl][(thiophen-2-yl)methyl]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, [2-(3,4-Dimethoxyphenyl)ethyl][(thiophen-2-yl)methyl]amine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-(3,4-Dimethoxyphenyl)ethyl][(thiophen-2-yl)methyl]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 [2-(3,4-Dimethoxyphenyl)ethyl][(thiophen-2-yl)methyl]amine hydrochloride is 1052411-86-5.
The molecular formula of [2-(3,4-Dimethoxyphenyl)ethyl][(thiophen-2-yl)methyl]amine hydrochloride is C15H20ClNO2S.
The molecular weight of [2-(3,4-Dimethoxyphenyl)ethyl][(thiophen-2-yl)methyl]amine hydrochloride is 313.09033 g/mol.
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