TL;DR: (1R)-1-(3-bromo-4-methoxyphenyl)ethan-1-amine (CAS 1212315-80-4) is a chemical compound with molecular formula C9H12BrNO and molecular weight 229.01022 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
Also Known As: (1R)-1-(3-bromo-4-methoxyphenyl)ethan-1-amine, (1R)-1-(3-bromo-4-methoxyphenyl)ethanamine, (R)-1-(3-Bromo-4-methoxyphenyl)ethanamine, 1-(3-bromo-4-methoxy-phenyl)ethanamine
| Molecular Formula | C9H12BrNO |
| Molecular Weight | 229.01022 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 35.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.01022 Da |
| Heavy Atoms | 12 |
| Complexity | 142.0 |
| SMILES | C[C@H](C1=CC(=C(C=C1)OC)Br)N |
| InChIKey | ODYLWSUKSYAEEN-ZCFIWIBFSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R)-1-(3-bromo-4-methoxyphenyl)ethan-1-amine. With a topological polar surface area (TPSA) of 35.3 Ų, (1R)-1-(3-bromo-4-methoxyphenyl)ethan-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1R)-1-(3-bromo-4-methoxyphenyl)ethan-1-amine has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (1R)-1-(3-bromo-4-methoxyphenyl)ethan-1-amine is 1212315-80-4.
The molecular formula of (1R)-1-(3-bromo-4-methoxyphenyl)ethan-1-amine is C9H12BrNO.
The molecular weight of (1R)-1-(3-bromo-4-methoxyphenyl)ethan-1-amine is 229.01022 g/mol.
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