TL;DR: Bis[2-(3,4-dimethoxyphenyl)ethyl]azanium chloride (CAS 19713-28-1) is a chemical compound with molecular formula C20H28ClNO4 and molecular weight 381.1707 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis[2-(3,4-dimethoxyphenyl)ethyl]azanium chloride
Also Known As: Homoveratryl homoveratrylamine hydrochloride, 3,3',4,4'-Tetramethoxydiphenethylamine hydrochloride, O(C)c1cc(CCNCCc2ccc(OC)c(OC)c2)ccc1OC, bis[2-(3,4-dimethoxyphenyl)ethyl]azanium chloride, DIPHENETHYLAMINE, 3,3',4,4'-TETRAMETHOXY-, HYDROCHLORIDE
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C20H28ClNO4 |
| Molecular Weight | 381.1707 g/mol |
| XLogP | -0.93 |
| Topological Polar Surface Area (TPSA) | 53.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 381.1707 Da |
| Heavy Atoms | 26 |
| Complexity | 323.0 |
| SMILES | COC1=C(C=C(C=C1)CC[NH2+]CCC2=CC(=C(C=C2)OC)OC)OC.[Cl-] |
| InChIKey | PMKQAJYOSZNVAA-UHFFFAOYSA-N |
The XLogP value of -0.93 indicates that Bis[2-(3,4-dimethoxyphenyl)ethyl]azanium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 53.5 Ų, Bis[2-(3,4-dimethoxyphenyl)ethyl]azanium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis[2-(3,4-dimethoxyphenyl)ethyl]azanium chloride has 1 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 Bis[2-(3,4-dimethoxyphenyl)ethyl]azanium chloride is 19713-28-1.
The molecular formula of Bis[2-(3,4-dimethoxyphenyl)ethyl]azanium chloride is C20H28ClNO4.
The molecular weight of Bis[2-(3,4-dimethoxyphenyl)ethyl]azanium chloride is 381.1707 g/mol.
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