TL;DR: [(4-Chlorophenyl)methyl][(3,4,5-trimethoxyphenyl)methyl]amine (CAS 1004129-05-8) is a chemical compound with molecular formula C17H20ClNO3 and molecular weight 321.11316 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-chlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine
Also Known As: [(4-chlorophenyl)methyl][(3,4,5-trimethoxyphenyl)methyl]amine|N-(4-Chlorobenzyl)-1-(3,4,5-trimethoxyphenyl)methanamine|1-(4-chlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine|N-[(4-chlorophenyl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine|EN300-37342620
| Molecular Formula | C17H20ClNO3 |
| Molecular Weight | 321.11316 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 39.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 321.11316 Da |
| Heavy Atoms | 22 |
| Complexity | 296.0 |
| SMILES | COC1=CC(=CC(=C1OC)OC)CNCC2=CC=C(C=C2)Cl |
| InChIKey | JGOUJKBEBSJRDX-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that [(4-Chlorophenyl)methyl][(3,4,5-trimethoxyphenyl)methyl]amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.7 Ų, [(4-Chlorophenyl)methyl][(3,4,5-trimethoxyphenyl)methyl]amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(4-Chlorophenyl)methyl][(3,4,5-trimethoxyphenyl)methyl]amine 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 [(4-Chlorophenyl)methyl][(3,4,5-trimethoxyphenyl)methyl]amine is 1004129-05-8.
The molecular formula of [(4-Chlorophenyl)methyl][(3,4,5-trimethoxyphenyl)methyl]amine is C17H20ClNO3.
The molecular weight of [(4-Chlorophenyl)methyl][(3,4,5-trimethoxyphenyl)methyl]amine is 321.11316 g/mol.
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