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

C15H14N2O2 — CID 794546

IUPACN-(3,5-dimethylphenyl)-1-(2-nitrophenyl)methanimine
SMILESCc1cc(C)cc(/N=C/c2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C15H14N2O2/c1-11-7-12(2)9-14(8-11)16-10-13-5-3-4-6-15(13)17(18)19/h3-10H,1-2H3/b16-10+
InChIKeyQYOOCCYNTPXQSR-MHWRWJLKSA-N
MW254.29 g/mol
LogP3.96
Rot. Bonds3

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

N-(3,5-dimethylphenyl)-1-(2-nitrophenyl)methanimine (PubChem CID 794546) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-1-(2-nitrophenyl)methanimine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-1-(2-nitrophenyl)methanimine
PubChem CID794546
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC NameN-(3,5-dimethylphenyl)-1-(2-nitrophenyl)methanimine
SMILESCc1cc(C)cc(/N=C/c2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C15H14N2O2/c1-11-7-12(2)9-14(8-11)16-10-13-5-3-4-6-15(13)17(18)19/h3-10H,1-2H3/b16-10+
InChIKeyQYOOCCYNTPXQSR-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-(3,5-dimethylphenyl)-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

Related Compounds

N-(3-iodo-4-methylphenyl)-1-(2-nitrophenyl)methanimine
CID 1378215
N-(4-fluorophenyl)-1-(2-nitrophenyl)methanimine
CID 794265
N-(4-methoxyphenyl)-1-(2-nitrophenyl)methanimine
CID 520164
N-(3-methoxyphenyl)-1-(2-nitrophenyl)methanimine
CID 4191287
1-(2-nitrophenyl)-N-[4-[[4-[(2-nitrophenyl)methylideneamino]phenyl]disulfanyl]phenyl]methanimine
CID 87673126
2-[(3,5-dimethylphenyl)iminomethyl]phenol
CID 4108135
1-(2-nitrophenyl)-N-[4-[6-[4-[(2-nitrophenyl)methylideneamino]phenyl]pyrimidin-4-yl]phenyl]methanimine
CID 45146285
N-(3,5-dimethylphenyl)-1-(5-nitrothiophen-2-yl)methanimine
CID 693381
N-methyl-N-[(2-nitrophenyl)methylideneamino]methanamine
CID 78408891
(Z)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-nitrophenyl)methanimine
CID 5403911
2-(3,5-dimethylphenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 966519
2-[(4-anilinophenyl)iminomethyl]-4-methyl-6-nitrophenolate
CID 6938461

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-1-(2-nitrophenyl)methanimine?
The IUPAC name of N-(3,5-dimethylphenyl)-1-(2-nitrophenyl)methanimine (CID 794546) is N-(3,5-dimethylphenyl)-1-(2-nitrophenyl)methanimine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-1-(2-nitrophenyl)methanimine?
The canonical SMILES for N-(3,5-dimethylphenyl)-1-(2-nitrophenyl)methanimine is Cc1cc(C)cc(/N=C/c2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-1-(2-nitrophenyl)methanimine?
The InChIKey is QYOOCCYNTPXQSR-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-11-7-12(2)9-14(8-11)16-10-13-5-3-4-6-15(13)17(18)19/h3-10H,1-2H3/b16-10+.
What are the key properties of N-(3,5-dimethylphenyl)-1-(2-nitrophenyl)methanimine?
N-(3,5-dimethylphenyl)-1-(2-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-(3,5-dimethylphenyl)-1-(2-nitrophenyl)methanimine is sourced from PubChem (CID 794546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).