TL;DR: N-[(1S)-1-(4-Methoxyphenyl)ethyl]-2-thiophenemethanamine (CAS 1228542-79-7) is a chemical compound with molecular formula C14H17NOS and molecular weight 247.10309 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S)-1-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine
Also Known As: BAS 06531973, N-[(1S)-1-(4-Methoxyphenyl)ethyl]-2-thiophenemethanamine, (1S)-1-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine, (1S)-1-(4-Methoxyphenyl)-N-[(thiophen-2-yl)methyl]ethan-1-amine
| Molecular Formula | C14H17NOS |
| Molecular Weight | 247.10309 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 49.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 247.10309 Da |
| Heavy Atoms | 17 |
| Complexity | 216.0 |
| SMILES | C[C@@H](C1=CC=C(C=C1)OC)NCC2=CC=CS2 |
| InChIKey | KDTOMHLXNQRXGH-NSHDSACASA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(1S)-1-(4-Methoxyphenyl)ethyl]-2-thiophenemethanamine. With a topological polar surface area (TPSA) of 49.5 Ų, N-[(1S)-1-(4-Methoxyphenyl)ethyl]-2-thiophenemethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(1S)-1-(4-Methoxyphenyl)ethyl]-2-thiophenemethanamine has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-[(1S)-1-(4-Methoxyphenyl)ethyl]-2-thiophenemethanamine is 1228542-79-7.
The molecular formula of N-[(1S)-1-(4-Methoxyphenyl)ethyl]-2-thiophenemethanamine is C14H17NOS.
The molecular weight of N-[(1S)-1-(4-Methoxyphenyl)ethyl]-2-thiophenemethanamine is 247.10309 g/mol.
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