TL;DR: 1-(2,4-Dichloro-5-fluorophenyl)ethan-1-amine (CAS 1344923-81-4) is a chemical compound with molecular formula C8H8Cl2FN and molecular weight 207.00179 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2,4-dichloro-5-fluorophenyl)ethanamine
Also Known As: 1-(2,4-dichloro-5-fluorophenyl)ethanamine, 1-(2,4-dichloro-5-fluorophenyl)ethan-1-amine, 1-(2,4-dichloro-5-fluoro-phenyl)ethanamine, (R)-1-(2,4-Dichloro-5-fluorophenyl)ethanamine, (S)-1-(2,4-Dichloro-5-fluorophenyl)ethanamine
| Molecular Formula | C8H8Cl2FN |
| Molecular Weight | 207.00179 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.00179 Da |
| Heavy Atoms | 12 |
| Complexity | 156.0 |
| SMILES | CC(C1=CC(=C(C=C1Cl)Cl)F)N |
| InChIKey | UUGIXMDBIAKDBF-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,4-Dichloro-5-fluorophenyl)ethan-1-amine. With a topological polar surface area (TPSA) of 26.0 Ų, 1-(2,4-Dichloro-5-fluorophenyl)ethan-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,4-Dichloro-5-fluorophenyl)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 1-(2,4-Dichloro-5-fluorophenyl)ethan-1-amine is 1344923-81-4.
The molecular formula of 1-(2,4-Dichloro-5-fluorophenyl)ethan-1-amine is C8H8Cl2FN.
The molecular weight of 1-(2,4-Dichloro-5-fluorophenyl)ethan-1-amine is 207.00179 g/mol.
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