TL;DR: Benzenamine, 2,5-dimethyl-N-[(4-nitrophenyl)methylene]- (CAS 112523-36-1) is a chemical compound with molecular formula C15H14N2O2 and molecular weight 254.10553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2,5-dimethylphenyl)-1-(4-nitrophenyl)methanimine
Also Known As: Benzenamine, 2,5-dimethyl-N-[(4-nitrophenyl)methylene]-, 2,5-dimethyl-N-(4-nitrobenzylidene)aniline, N-(2,5-dimethylphenyl)-1-(4-nitrophenyl)methanimine, 4-Nitro-benzaldehyd-(2.5-dimethyl-anil), (2,5-dimethylphenyl)(4-nitrobenzylidene)amine
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C15H14N2O2 |
| Molecular Weight | 254.10553 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 58.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.10553 Da |
| Heavy Atoms | 19 |
| Complexity | 330.0 |
| SMILES | CC1=CC(=C(C=C1)C)N=CC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | UPNBNWVLXAHCNJ-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that Benzenamine, 2,5-dimethyl-N-[(4-nitrophenyl)methylene]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, Benzenamine, 2,5-dimethyl-N-[(4-nitrophenyl)methylene]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenamine, 2,5-dimethyl-N-[(4-nitrophenyl)methylene]- has 0 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 Benzenamine, 2,5-dimethyl-N-[(4-nitrophenyl)methylene]- is 112523-36-1.
The molecular formula of Benzenamine, 2,5-dimethyl-N-[(4-nitrophenyl)methylene]- is C15H14N2O2.
The molecular weight of Benzenamine, 2,5-dimethyl-N-[(4-nitrophenyl)methylene]- is 254.10553 g/mol.
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