TL;DR: 2-(3,4-dimethoxyphenyl)-N-(quinolin-2-ylmethyl)ethanamine (CAS 39819-26-6) is a chemical compound with molecular formula C20H22N2O2 and molecular weight 322.16812 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3,4-dimethoxyphenyl)-N-(quinolin-2-ylmethyl)ethanamine
Also Known As: 2-(3,4-dimethoxyphenyl)-n-(quinolin-2-ylmethyl)ethanamine, 2-(3,4-Dimethoxyphenyl)-N-[(quinolin-2-yl)methyl]ethan-1-amine
| Molecular Formula | C20H22N2O2 |
| Molecular Weight | 322.16812 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 322.16812 Da |
| Heavy Atoms | 24 |
| Complexity | 366.0 |
| SMILES | COC1=C(C=C(C=C1)CCNCC2=NC3=CC=CC=C3C=C2)OC |
| InChIKey | WHQBOHYVTSHKSR-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that 2-(3,4-dimethoxyphenyl)-N-(quinolin-2-ylmethyl)ethanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 2-(3,4-dimethoxyphenyl)-N-(quinolin-2-ylmethyl)ethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,4-dimethoxyphenyl)-N-(quinolin-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-(3,4-dimethoxyphenyl)-N-(quinolin-2-ylmethyl)ethanamine is 39819-26-6.
The molecular formula of 2-(3,4-dimethoxyphenyl)-N-(quinolin-2-ylmethyl)ethanamine is C20H22N2O2.
The molecular weight of 2-(3,4-dimethoxyphenyl)-N-(quinolin-2-ylmethyl)ethanamine is 322.16812 g/mol.
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