N-(4-methylphenyl)-1-(2-nitrophenyl)methanimine

C14H12N2O2 — CID 794913

IUPACN-(4-methylphenyl)-1-(2-nitrophenyl)methanimine
SMILESCc1ccc(/N=C/c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H12N2O2/c1-11-6-8-13(9-7-11)15-10-12-4-2-3-5-14(12)16(17)18/h2-10H,1H3/b15-10+
InChIKeyYKRSQWCMPJDBOD-XNTDXEJSSA-N
MW240.26 g/mol
LogP3.65
Rot. Bonds3

About N-(4-methylphenyl)-1-(2-nitrophenyl)methanimine

N-(4-methylphenyl)-1-(2-nitrophenyl)methanimine (PubChem CID 794913) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-(4-methylphenyl)-1-(2-nitrophenyl)methanimine.

Molecular Properties

Compound NameN-(4-methylphenyl)-1-(2-nitrophenyl)methanimine
PubChem CID794913
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC NameN-(4-methylphenyl)-1-(2-nitrophenyl)methanimine
SMILESCc1ccc(/N=C/c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H12N2O2/c1-11-6-8-13(9-7-11)15-10-12-4-2-3-5-14(12)16(17)18/h2-10H,1H3/b15-10+
InChIKeyYKRSQWCMPJDBOD-XNTDXEJSSA-N
XLogP3.65
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-methylphenyl)-1-(2-nitrophenyl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-1-(2-nitrophenyl)methanimine?
The IUPAC name of N-(4-methylphenyl)-1-(2-nitrophenyl)methanimine (CID 794913) is N-(4-methylphenyl)-1-(2-nitrophenyl)methanimine.
What is the SMILES notation for N-(4-methylphenyl)-1-(2-nitrophenyl)methanimine?
The canonical SMILES for N-(4-methylphenyl)-1-(2-nitrophenyl)methanimine is Cc1ccc(/N=C/c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-(4-methylphenyl)-1-(2-nitrophenyl)methanimine?
The InChIKey is YKRSQWCMPJDBOD-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-11-6-8-13(9-7-11)15-10-12-4-2-3-5-14(12)16(17)18/h2-10H,1H3/b15-10+.
What are the key properties of N-(4-methylphenyl)-1-(2-nitrophenyl)methanimine?
N-(4-methylphenyl)-1-(2-nitrophenyl)methanimine has a molecular weight of 240.26 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1-(2-nitrophenyl)methanimine is sourced from PubChem (CID 794913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).