TL;DR: N-[(4-nitrophenyl)methyl]-1-phenylmethanimine (CAS 100872-24-0) is a chemical compound with molecular formula C14H12N2O2 and molecular weight 240.08987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(4-nitrophenyl)methyl]-1-phenylmethanimine
Also Known As: Benzyliden-(4-nitro-benzyl)-amin, benzylidene-(4-nitro-benzyl)-amine, N-[(4-nitrophenyl)methyl]-1-phenylmethanimine, N-[(4-nitrophenyl)methyl]-1-phenyl-methanimine
| Molecular Formula | C14H12N2O2 |
| Molecular Weight | 240.08987 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 58.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.08987 Da |
| Heavy Atoms | 18 |
| Complexity | 285.0 |
| SMILES | C1=CC=C(C=C1)C=NCC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | OCXKXLYHBZNUGO-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that N-[(4-nitrophenyl)methyl]-1-phenylmethanimine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, N-[(4-nitrophenyl)methyl]-1-phenylmethanimine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(4-nitrophenyl)methyl]-1-phenylmethanimine 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 N-[(4-nitrophenyl)methyl]-1-phenylmethanimine is 100872-24-0.
The molecular formula of N-[(4-nitrophenyl)methyl]-1-phenylmethanimine is C14H12N2O2.
The molecular weight of N-[(4-nitrophenyl)methyl]-1-phenylmethanimine is 240.08987 g/mol.
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