TL;DR: 2-(2,3,6-Trimethoxyphenyl)ethanamine (CAS 15806-31-2) is a chemical compound with molecular formula C11H17NO3 and molecular weight 211.12085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,3,6-trimethoxyphenyl)ethanamine
Also Known As: Benzeneethanamine, 2,3,6-trimethoxy-, 2-(2,3,6-trimethoxyphenyl)ethanamine
| Molecular Formula | C11H17NO3 |
| Molecular Weight | 211.12085 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 53.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 211.12085 Da |
| Heavy Atoms | 15 |
| Complexity | 177.0 |
| SMILES | COC1=C(C(=C(C=C1)OC)OC)CCN |
| InChIKey | SOARXDWNNULVNL-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,3,6-Trimethoxyphenyl)ethanamine. With a topological polar surface area (TPSA) of 53.7 Ų, 2-(2,3,6-Trimethoxyphenyl)ethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,3,6-Trimethoxyphenyl)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-(2,3,6-Trimethoxyphenyl)ethanamine is 15806-31-2.
The molecular formula of 2-(2,3,6-Trimethoxyphenyl)ethanamine is C11H17NO3.
The molecular weight of 2-(2,3,6-Trimethoxyphenyl)ethanamine is 211.12085 g/mol.
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