TL;DR: 4-(4-Aminophenoxy)benzene-1,3-diamine (CAS 23843-88-1) is a chemical compound with molecular formula C12H13N3O and molecular weight 215.10587 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-aminophenoxy)benzene-1,3-diamine
Also Known As: 4-(4-Aminophenoxy)benzene-1,3-diamine, triaminodiphenyl ether, 4- benzene-1,3-diamine, 2,4,4'-triamino diphenyl ether, 4-(4-Amino-phenoxy)-m-phenylendiamin
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H13N3O |
| Molecular Weight | 215.10587 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 87.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.10587 Da |
| Heavy Atoms | 16 |
| Complexity | 216.0 |
| SMILES | C1=CC(=CC=C1N)OC2=C(C=C(C=C2)N)N |
| InChIKey | MCFXXLUSGLPRSU-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Aminophenoxy)benzene-1,3-diamine. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Aminophenoxy)benzene-1,3-diamine. Following Lipinski's Rule of Five, 4-(4-Aminophenoxy)benzene-1,3-diamine has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-(4-Aminophenoxy)benzene-1,3-diamine is 23843-88-1.
The molecular formula of 4-(4-Aminophenoxy)benzene-1,3-diamine is C12H13N3O.
The molecular weight of 4-(4-Aminophenoxy)benzene-1,3-diamine is 215.10587 g/mol.
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