N-(2,5-dimethylphenyl)-1-(3-nitrophenyl)methanimine

C15H14N2O2 — CID 774540

IUPACN-(2,5-dimethylphenyl)-1-(3-nitrophenyl)methanimine
SMILESCc1ccc(C)c(/N=C/c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C15H14N2O2/c1-11-6-7-12(2)15(8-11)16-10-13-4-3-5-14(9-13)17(18)19/h3-10H,1-2H3/b16-10+
InChIKeyZEUBPYWOKZYFNG-MHWRWJLKSA-N
MW254.29 g/mol
LogP3.96
Rot. Bonds3

About N-(2,5-dimethylphenyl)-1-(3-nitrophenyl)methanimine

N-(2,5-dimethylphenyl)-1-(3-nitrophenyl)methanimine (PubChem CID 774540) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-1-(3-nitrophenyl)methanimine.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-1-(3-nitrophenyl)methanimine
PubChem CID774540
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC NameN-(2,5-dimethylphenyl)-1-(3-nitrophenyl)methanimine
SMILESCc1ccc(C)c(/N=C/c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C15H14N2O2/c1-11-6-7-12(2)15(8-11)16-10-13-4-3-5-14(9-13)17(18)19/h3-10H,1-2H3/b16-10+
InChIKeyZEUBPYWOKZYFNG-MHWRWJLKSA-N
XLogP3.96
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.96
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-(2,5-dimethylphenyl)-1-(3-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

Related Compounds

CID 6974
CID 6974
CID 21433
CID 21433
CID 3036381
CID 3036381
CID 136626
CID 136626
CID 144342
CID 144342
CID 6508552
CID 6508552
CID 291000
CID 291000
CID 292080
CID 292080
CID 794913
CID 794913
CID 143911
CID 143911
CID 525732
CID 525732
CID 622879
CID 622879

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-1-(3-nitrophenyl)methanimine?
The IUPAC name of N-(2,5-dimethylphenyl)-1-(3-nitrophenyl)methanimine (CID 774540) is N-(2,5-dimethylphenyl)-1-(3-nitrophenyl)methanimine.
What is the SMILES notation for N-(2,5-dimethylphenyl)-1-(3-nitrophenyl)methanimine?
The canonical SMILES for N-(2,5-dimethylphenyl)-1-(3-nitrophenyl)methanimine is Cc1ccc(C)c(/N=C/c2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-1-(3-nitrophenyl)methanimine?
The InChIKey is ZEUBPYWOKZYFNG-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-11-6-7-12(2)15(8-11)16-10-13-4-3-5-14(9-13)17(18)19/h3-10H,1-2H3/b16-10+.
What are the key properties of N-(2,5-dimethylphenyl)-1-(3-nitrophenyl)methanimine?
N-(2,5-dimethylphenyl)-1-(3-nitrophenyl)methanimine has a molecular weight of 254.29 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-1-(3-nitrophenyl)methanimine is sourced from PubChem (CID 774540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).