TL;DR: 1-(3,4,5-Trimethoxyphenyl)ethanamine (CAS 122078-08-4) 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.
1-(3,4,5-trimethoxyphenyl)ethanamine
Also Known As: 1-(3,4,5-trimethoxyphenyl)ethanamine, 1-(3,4,5-Trimethoxy-phenyl)-ethylamine, Chlorodifluoroacetonitrile, CHEMBRDG-BB 4102680, 1-(3,4,5-trimethoxyphenyl)ethylamine
| Molecular Formula | C11H17NO3 |
| Molecular Weight | 211.12085 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 53.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 211.12085 Da |
| Heavy Atoms | 15 |
| Complexity | 175.0 |
| SMILES | CC(C1=CC(=C(C(=C1)OC)OC)OC)N |
| InChIKey | WYQUYSRUIVFEII-UHFFFAOYSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4,5-Trimethoxyphenyl)ethanamine. With a topological polar surface area (TPSA) of 53.7 Ų, 1-(3,4,5-Trimethoxyphenyl)ethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4,5-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 1-(3,4,5-Trimethoxyphenyl)ethanamine is 122078-08-4.
The molecular formula of 1-(3,4,5-Trimethoxyphenyl)ethanamine is C11H17NO3.
The molecular weight of 1-(3,4,5-Trimethoxyphenyl)ethanamine is 211.12085 g/mol.
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