TL;DR: 4-(2,4-Dichlorophenoxy)benzenamine (CAS 14861-17-7) is a chemical compound with molecular formula C12H9Cl2NO and molecular weight 253.00612 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2,4-dichlorophenoxy)aniline
Also Known As: 4-(2,4-Dichlorophenoxy)aniline, Aminonitrofen, Amino-nitrofen, 4-Amino-2',4'-dichlorodiphenyl ether, 2,4-Dichloro-4'-aminodiphenyl ether
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H9Cl2NO |
| Molecular Weight | 253.00612 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 35.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.00612 Da |
| Heavy Atoms | 16 |
| Complexity | 219.0 |
| SMILES | C1=CC(=CC=C1N)OC2=C(C=C(C=C2)Cl)Cl |
| InChIKey | RWDOREOERSVIRK-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 4-(2,4-Dichlorophenoxy)benzenamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.3 Ų, 4-(2,4-Dichlorophenoxy)benzenamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,4-Dichlorophenoxy)benzenamine 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 4-(2,4-Dichlorophenoxy)benzenamine is 14861-17-7.
The molecular formula of 4-(2,4-Dichlorophenoxy)benzenamine is C12H9Cl2NO.
The molecular weight of 4-(2,4-Dichlorophenoxy)benzenamine is 253.00612 g/mol.
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