N-(2,4-dimethylphenyl)-1-(4-nitrophenyl)methanimine

C15H14N2O2 — CID 792021

IUPACN-(2,4-dimethylphenyl)-1-(4-nitrophenyl)methanimine
SMILESCc1ccc(/N=C/c2ccc([N+](=O)[O-])cc2)c(C)c1
InChIInChI=1S/C15H14N2O2/c1-11-3-8-15(12(2)9-11)16-10-13-4-6-14(7-5-13)17(18)19/h3-10H,1-2H3/b16-10+
InChIKeyDWTNFZXPLQDVMW-MHWRWJLKSA-N
MW254.29 g/mol
LogP3.96
Rot. Bonds3

About N-(2,4-dimethylphenyl)-1-(4-nitrophenyl)methanimine

N-(2,4-dimethylphenyl)-1-(4-nitrophenyl)methanimine (PubChem CID 792021) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-(4-nitrophenyl)methanimine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-(4-nitrophenyl)methanimine
PubChem CID792021
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC NameN-(2,4-dimethylphenyl)-1-(4-nitrophenyl)methanimine
SMILESCc1ccc(/N=C/c2ccc([N+](=O)[O-])cc2)c(C)c1
InChIInChI=1S/C15H14N2O2/c1-11-3-8-15(12(2)9-11)16-10-13-4-6-14(7-5-13)17(18)19/h3-10H,1-2H3/b16-10+
InChIKeyDWTNFZXPLQDVMW-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'}

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Related Compounds

1-(4-chlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine
CID 5036579
1-(4-ethoxyphenyl)-N-(2-methyl-4-nitrophenyl)methanimine
CID 3904507
1-[3-chloro-4-(2,4-dinitrophenoxy)phenyl]-N-(2,4-dimethylphenyl)methanimine
CID 126221072
2-[(4-methylphenyl)methylideneamino]-4-nitrophenol
CID 690997
2-[(2,4-dimethylphenyl)iminomethyl]-6-methyl-4-nitrophenol
CID 902425
4-[(2,4-dimethylphenyl)iminomethyl]phenol
CID 137138686
N-(2,4-dimethylphenyl)-1-[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]methanimine
CID 126207770
1-[3,5-dichloro-4-(2,4-dinitrophenoxy)phenyl]-N-(2,4-dimethylphenyl)methanimine
CID 126218076
4-[(2-methyl-5-nitrophenyl)iminomethyl]benzonitrile
CID 622181
N-(2,4-dichlorophenyl)-1-(4-nitrophenyl)methanimine
CID 690794
N-(3-chloro-4-methylphenyl)-1-(4-nitrophenyl)methanimine
CID 690795
4-nitro-2-[(4-nitrophenyl)methylideneamino]phenol
CID 4006870

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1-(4-nitrophenyl)methanimine?
The IUPAC name of N-(2,4-dimethylphenyl)-1-(4-nitrophenyl)methanimine (CID 792021) is N-(2,4-dimethylphenyl)-1-(4-nitrophenyl)methanimine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-(4-nitrophenyl)methanimine?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-(4-nitrophenyl)methanimine is Cc1ccc(/N=C/c2ccc([N+](=O)[O-])cc2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-(4-nitrophenyl)methanimine?
The InChIKey is DWTNFZXPLQDVMW-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-11-3-8-15(12(2)9-11)16-10-13-4-6-14(7-5-13)17(18)19/h3-10H,1-2H3/b16-10+.
What are the key properties of N-(2,4-dimethylphenyl)-1-(4-nitrophenyl)methanimine?
N-(2,4-dimethylphenyl)-1-(4-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-(2,4-dimethylphenyl)-1-(4-nitrophenyl)methanimine is sourced from PubChem (CID 792021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).