TL;DR: 2-((4-Amino-3-ethyl-5-methylphenyl)methyl)-4-((4-aminophenyl)methyl)aniline (CAS 93778-05-3) is a chemical compound with molecular formula C23H27N3 and molecular weight 345.2205 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[[2-amino-5-[(4-aminophenyl)methyl]phenyl]methyl]-2-ethyl-6-methylaniline
Also Known As: EINECS 298-138-1, 2-((4-Amino-3-ethyl-5-methylphenyl)methyl)-4-((4-aminophenyl)methyl)aniline, 4-[[2-amino-5-[(4-aminophenyl)methyl]phenyl]methyl]-2-ethyl-6-methylaniline, 2-[(4-AMINO-3-ETHYL-5-METHYLPHENYL)METHYL]-4-[(4-AMINOPHENYL)METHYL]ANILINE, 4-({2-AMINO-5-[(4-AMINOPHENYL)METHYL]PHENYL}METHYL)-2-ETHYL-6-METHYLANILINE
| Molecular Formula | C23H27N3 |
| Molecular Weight | 345.2205 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 78.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.2205 Da |
| Heavy Atoms | 26 |
| Complexity | 418.0 |
| SMILES | CCC1=C(C(=CC(=C1)CC2=C(C=CC(=C2)CC3=CC=C(C=C3)N)N)C)N |
| InChIKey | VLTOJJNAVJHSOQ-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that 2-((4-Amino-3-ethyl-5-methylphenyl)methyl)-4-((4-aminophenyl)methyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-Amino-3-ethyl-5-methylphenyl)methyl)-4-((4-aminophenyl)methyl)aniline. Following Lipinski's Rule of Five, 2-((4-Amino-3-ethyl-5-methylphenyl)methyl)-4-((4-aminophenyl)methyl)aniline has 3 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 2-((4-Amino-3-ethyl-5-methylphenyl)methyl)-4-((4-aminophenyl)methyl)aniline is 93778-05-3.
The molecular formula of 2-((4-Amino-3-ethyl-5-methylphenyl)methyl)-4-((4-aminophenyl)methyl)aniline is C23H27N3.
The molecular weight of 2-((4-Amino-3-ethyl-5-methylphenyl)methyl)-4-((4-aminophenyl)methyl)aniline is 345.2205 g/mol.
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