N-(2,5-dimethylphenyl)-1-nitro-1-phenylmethanimine

C15H14N2O2 — CID 88525097

IUPACN-(2,5-dimethylphenyl)-1-nitro-1-phenylmethanimine
SMILESCc1ccc(C)c(/N=C(/c2ccccc2)[N+](=O)[O-])c1
InChIInChI=1S/C15H14N2O2/c1-11-8-9-12(2)14(10-11)16-15(17(18)19)13-6-4-3-5-7-13/h3-10H,1-2H3/b16-15-
InChIKeyFIAZFUFCSOTISK-NXVVXOECSA-N
MW254.29 g/mol
LogP3.66
Rot. Bonds2

About N-(2,5-dimethylphenyl)-1-nitro-1-phenylmethanimine

N-(2,5-dimethylphenyl)-1-nitro-1-phenylmethanimine (PubChem CID 88525097) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-1-nitro-1-phenylmethanimine.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-1-nitro-1-phenylmethanimine
PubChem CID88525097
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC NameN-(2,5-dimethylphenyl)-1-nitro-1-phenylmethanimine
SMILESCc1ccc(C)c(/N=C(/c2ccccc2)[N+](=O)[O-])c1
InChIInChI=1S/C15H14N2O2/c1-11-8-9-12(2)14(10-11)16-15(17(18)19)13-6-4-3-5-7-13/h3-10H,1-2H3/b16-15-
InChIKeyFIAZFUFCSOTISK-NXVVXOECSA-N
XLogP3.66
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

N-[(E)-[(4-methylphenyl)-nitromethylidene]amino]aniline
CID 6277211
2-amino-N'-(2,5-dimethylphenyl)benzenecarboximidamide
CID 101481145
1,4-dimethyl-2-(2-nitro-3-phenylprop-1-enyl)benzene
CID 76948475
benzhydryl N'-(2,5-dimethylphenyl)carbamimidothioate
CID 8776178
[4-methyl-2-(2-nitroethylideneamino)phenyl]-phenylmethanone
CID 54260481
(3,5-dimethyl-4-nitrophenyl)-phenylmethanone
CID 13265343
2-(2-methyl-5-nitrophenyl)guanidine
CID 11528992
N-(2-methyl-5-nitrophenyl)-1-(3-nitrophenyl)-1-piperidin-1-ylmethanimine
CID 3112328
ethane;2-(2-methyl-5-nitrophenyl)guanidine
CID 166467852
1,4-dimethyl-2-nitrobenzene
CID 20849377
2-[(2,5-dimethylphenyl)iminomethyl]-4-methyl-6-nitrophenolate
CID 7067911
N-hydroxy-N'-(2-methylphenyl)-3-nitrobenzenecarboximidamide
CID 4121047

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-1-nitro-1-phenylmethanimine?
The IUPAC name of N-(2,5-dimethylphenyl)-1-nitro-1-phenylmethanimine (CID 88525097) is N-(2,5-dimethylphenyl)-1-nitro-1-phenylmethanimine.
What is the SMILES notation for N-(2,5-dimethylphenyl)-1-nitro-1-phenylmethanimine?
The canonical SMILES for N-(2,5-dimethylphenyl)-1-nitro-1-phenylmethanimine is Cc1ccc(C)c(/N=C(/c2ccccc2)[N+](=O)[O-])c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-1-nitro-1-phenylmethanimine?
The InChIKey is FIAZFUFCSOTISK-NXVVXOECSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-11-8-9-12(2)14(10-11)16-15(17(18)19)13-6-4-3-5-7-13/h3-10H,1-2H3/b16-15-.
What are the key properties of N-(2,5-dimethylphenyl)-1-nitro-1-phenylmethanimine?
N-(2,5-dimethylphenyl)-1-nitro-1-phenylmethanimine has a molecular weight of 254.29 g/mol, XLogP of 3.66, 2 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-nitro-1-phenylmethanimine is sourced from PubChem (CID 88525097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).