TL;DR: Benzeneethanamine, 4-bromo-2,5-dimethoxy-N-methyl- (CAS 155639-22-8) is a chemical compound with molecular formula C11H16BrNO2 and molecular weight 273.03644 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-bromo-2,5-dimethoxyphenyl)-N-methylethanamine
Also Known As: N-Methyl-2C-B, Benzeneethanamine, 4-bromo-2,5-dimethoxy-N-methyl-, 2-(4-Bromo-2,5-dimethoxyphenyl)-N-methylethanamine, N-Methyl-2-(4-bromo-2,5-dimethoxyphenyl)ethanamine, [2-(4-Bromo-2,5-dimethoxyphenyl)ethyl](methyl)amine
| Molecular Formula | C11H16BrNO2 |
| Molecular Weight | 273.03644 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 30.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.03644 Da |
| Heavy Atoms | 15 |
| Complexity | 180.0 |
| SMILES | CNCCC1=CC(=C(C=C1OC)Br)OC |
| InChIKey | ZRTYZUYYGULHEW-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneethanamine, 4-bromo-2,5-dimethoxy-N-methyl-. With a topological polar surface area (TPSA) of 30.5 Ų, Benzeneethanamine, 4-bromo-2,5-dimethoxy-N-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneethanamine, 4-bromo-2,5-dimethoxy-N-methyl- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Benzeneethanamine, 4-bromo-2,5-dimethoxy-N-methyl- is 155639-22-8.
The molecular formula of Benzeneethanamine, 4-bromo-2,5-dimethoxy-N-methyl- is C11H16BrNO2.
The molecular weight of Benzeneethanamine, 4-bromo-2,5-dimethoxy-N-methyl- is 273.03644 g/mol.
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