TL;DR: 2,2-diethoxy-N-(thiophen-2-ylmethyl)ethanamine (CAS 113825-05-1) is a chemical compound with molecular formula C11H19NO2S and molecular weight 229.11365 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-diethoxy-N-(thiophen-2-ylmethyl)ethanamine
Also Known As: 2,2-diethoxy-N-(thiophen-2-ylmethyl)ethanamine, N-(2,2-diethoxyethyl)-N-(2-thienylmethyl)amine, (DICHLOROPHENYL)TRICHLOROSILANE, (2,2-diethoxyethyl)[(thiophen-2-yl)methyl]amine, 2-Thiophenemethanamine,N-(2,2-diethoxyethyl)-
| Molecular Formula | C11H19NO2S |
| Molecular Weight | 229.11365 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 58.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 229.11365 Da |
| Heavy Atoms | 15 |
| Complexity | 152.0 |
| SMILES | CCOC(CNCC1=CC=CS1)OCC |
| InChIKey | YRCGLUZNPJCFOZ-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-diethoxy-N-(thiophen-2-ylmethyl)ethanamine. With a topological polar surface area (TPSA) of 58.7 Ų, 2,2-diethoxy-N-(thiophen-2-ylmethyl)ethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-diethoxy-N-(thiophen-2-ylmethyl)ethanamine has 1 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 2,2-diethoxy-N-(thiophen-2-ylmethyl)ethanamine is 113825-05-1.
The molecular formula of 2,2-diethoxy-N-(thiophen-2-ylmethyl)ethanamine is C11H19NO2S.
The molecular weight of 2,2-diethoxy-N-(thiophen-2-ylmethyl)ethanamine is 229.11365 g/mol.
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