N-(2,3-dimethyl-4-nitrophenyl)-1-phenylmethanimine

C15H14N2O2 — CID 67942352

IUPACN-(2,3-dimethyl-4-nitrophenyl)-1-phenylmethanimine
SMILESCc1c(/N=C/c2ccccc2)ccc([N+](=O)[O-])c1C
InChIInChI=1S/C15H14N2O2/c1-11-12(2)15(17(18)19)9-8-14(11)16-10-13-6-4-3-5-7-13/h3-10H,1-2H3/b16-10+
InChIKeyRTISQHZMDVSIOE-MHWRWJLKSA-N
MW254.29 g/mol
LogP3.96
Rot. Bonds3

About N-(2,3-dimethyl-4-nitrophenyl)-1-phenylmethanimine

N-(2,3-dimethyl-4-nitrophenyl)-1-phenylmethanimine (PubChem CID 67942352) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(2,3-dimethyl-4-nitrophenyl)-1-phenylmethanimine.

Molecular Properties

Compound NameN-(2,3-dimethyl-4-nitrophenyl)-1-phenylmethanimine
PubChem CID67942352
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC NameN-(2,3-dimethyl-4-nitrophenyl)-1-phenylmethanimine
SMILESCc1c(/N=C/c2ccccc2)ccc([N+](=O)[O-])c1C
InChIInChI=1S/C15H14N2O2/c1-11-12(2)15(17(18)19)9-8-14(11)16-10-13-6-4-3-5-7-13/h3-10H,1-2H3/b16-10+
InChIKeyRTISQHZMDVSIOE-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-(3-chlorophenyl)-N-(2-methyl-3-nitrophenyl)methanimine
CID 780602
N-benzyl-N-ethyl-4-[(2-methyl-3-nitrophenyl)iminomethyl]aniline
CID 23792413
N-(2-chloro-4-nitrophenyl)-1-phenylmethanimine
CID 95564004
N-(3-chloro-2-methylphenyl)-1-(4-chloro-3-nitrophenyl)methanimine
CID 693294
2-(benzylideneamino)-6-nitro-4-(trifluoromethyl)aniline
CID 10870577
N-(2-nitrophenyl)-1-pyridin-3-ylmethanimine
CID 19173128
4-[(2-nitrophenyl)iminomethyl]benzonitrile
CID 11594011
(E)-N-[(E)-(4-nitrophenyl)methylideneamino]-1-phenylmethanimine
CID 139599955
N-(2,4-dibromo-6-nitrophenyl)-1-phenylmethanimine
CID 11773531
N-(2,4-dimethylphenyl)-1-(4-nitrophenyl)methanimine
CID 792021
N-(3,5-dimethylphenyl)-1-(2-nitrophenyl)methanimine
CID 794546
2-methyl-1-nitro-4-[(E)-2-phenylethenyl]benzene
CID 101353139

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-4-nitrophenyl)-1-phenylmethanimine?
The IUPAC name of N-(2,3-dimethyl-4-nitrophenyl)-1-phenylmethanimine (CID 67942352) is N-(2,3-dimethyl-4-nitrophenyl)-1-phenylmethanimine.
What is the SMILES notation for N-(2,3-dimethyl-4-nitrophenyl)-1-phenylmethanimine?
The canonical SMILES for N-(2,3-dimethyl-4-nitrophenyl)-1-phenylmethanimine is Cc1c(/N=C/c2ccccc2)ccc([N+](=O)[O-])c1C.
What is the InChIKey of N-(2,3-dimethyl-4-nitrophenyl)-1-phenylmethanimine?
The InChIKey is RTISQHZMDVSIOE-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-11-12(2)15(17(18)19)9-8-14(11)16-10-13-6-4-3-5-7-13/h3-10H,1-2H3/b16-10+.
What are the key properties of N-(2,3-dimethyl-4-nitrophenyl)-1-phenylmethanimine?
N-(2,3-dimethyl-4-nitrophenyl)-1-phenylmethanimine 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-(2,3-dimethyl-4-nitrophenyl)-1-phenylmethanimine is sourced from PubChem (CID 67942352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).