TL;DR: 4-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]aniline hydrochloride (CAS 151648-52-1) is a chemical compound with molecular formula C17H22ClNO4 and molecular weight 339.12375 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]aniline;hydrochloride
Also Known As: 4-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]aniline hydrochloride, 4-Methoxy-N-(3,4,5-trimethoxybenzyl)aniline hydrochloride, 4-methoxy-n-(3,4,5-trimethoxybenzyl)anilinium chloride, N-(3,5-Trimethoxybenzyl)-4-methoxyaniline hydrochloride, 4-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]aniline;hydrochloride
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C17H22ClNO4 |
| Molecular Weight | 339.12375 g/mol |
| XLogP | 3.7549 |
| Topological Polar Surface Area (TPSA) | 49.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 339.12375 Da |
| Heavy Atoms | 23 |
| Complexity | 293.0 |
| SMILES | COC1=CC=C(C=C1)NCC2=CC(=C(C(=C2)OC)OC)OC.Cl |
| InChIKey | LPQHSPCKVORGKS-UHFFFAOYSA-N |
The XLogP value of 3.7549 indicates that 4-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]aniline hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.0 Ų, 4-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]aniline hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]aniline hydrochloride has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]aniline hydrochloride is 151648-52-1.
The molecular formula of 4-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]aniline hydrochloride is C17H22ClNO4.
The molecular weight of 4-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]aniline hydrochloride is 339.12375 g/mol.
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