(E)-N-[(E)-(4-methylphenyl)methylideneamino]-1-(4-nitrophenyl)ethanimine

C16H15N3O2 — CID 139599982

IUPAC(E)-N-[(E)-(4-methylphenyl)methylideneamino]-1-(4-nitrophenyl)ethanimine
SMILESC/C(=N\N=C\c1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H15N3O2/c1-12-3-5-14(6-4-12)11-17-18-13(2)15-7-9-16(10-8-15)19(20)21/h3-11H,1-2H3/b17-11+,18-13+
InChIKeyHYRHXOXVYFDKHN-OUBUNXTGSA-N
MW281.32 g/mol
LogP3.75
Rot. Bonds4

About (E)-N-[(E)-(4-methylphenyl)methylideneamino]-1-(4-nitrophenyl)ethanimine

(E)-N-[(E)-(4-methylphenyl)methylideneamino]-1-(4-nitrophenyl)ethanimine (PubChem CID 139599982) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is (E)-N-[(E)-(4-methylphenyl)methylideneamino]-1-(4-nitrophenyl)ethanimine.

Molecular Properties

Compound Name(E)-N-[(E)-(4-methylphenyl)methylideneamino]-1-(4-nitrophenyl)ethanimine
PubChem CID139599982
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name(E)-N-[(E)-(4-methylphenyl)methylideneamino]-1-(4-nitrophenyl)ethanimine
SMILESC/C(=N\N=C\c1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H15N3O2/c1-12-3-5-14(6-4-12)11-17-18-13(2)15-7-9-16(10-8-15)19(20)21/h3-11H,1-2H3/b17-11+,18-13+
InChIKeyHYRHXOXVYFDKHN-OUBUNXTGSA-N
XLogP3.75
TPSA67.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

4-[(Z)-C-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]carbonimidoyl]benzonitrile
CID 54241340
2-[[1-(4-nitrophenyl)ethylidenehydrazinylidene]methyl]phenol
CID 3815884
methyl N'-[(Z)-(4-nitrophenyl)methylideneamino]carbamimidothioate
CID 6511843
1-methyl-4-[(E)-2-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene
CID 118944433
4-methyl-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline
CID 5377402
N'-[(4-nitrophenyl)methylideneamino]benzenecarboximidamide
CID 70171064
(NE)-4-methyl-N-[(4-nitrophenyl)methylidene]benzenesulfinamide
CID 15263571
2-[(4-methylphenyl)methylideneamino]-4-nitrophenol
CID 690997
1-methyl-4-nitrobenzene;hydrofluoride
CID 174946488
(E)-N-[(E)-(4-nitrophenyl)methylideneamino]-1-phenylmethanimine
CID 139599955
1-[4-[(4-nitrophenyl)methylideneamino]phenyl]ethanone
CID 620155
1-nitro-2-[(Z)-(4-nitrophenyl)methylideneamino]guanidine
CID 6765521

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-(4-methylphenyl)methylideneamino]-1-(4-nitrophenyl)ethanimine?
The IUPAC name of (E)-N-[(E)-(4-methylphenyl)methylideneamino]-1-(4-nitrophenyl)ethanimine (CID 139599982) is (E)-N-[(E)-(4-methylphenyl)methylideneamino]-1-(4-nitrophenyl)ethanimine.
What is the SMILES notation for (E)-N-[(E)-(4-methylphenyl)methylideneamino]-1-(4-nitrophenyl)ethanimine?
The canonical SMILES for (E)-N-[(E)-(4-methylphenyl)methylideneamino]-1-(4-nitrophenyl)ethanimine is C/C(=N\N=C\c1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (E)-N-[(E)-(4-methylphenyl)methylideneamino]-1-(4-nitrophenyl)ethanimine?
The InChIKey is HYRHXOXVYFDKHN-OUBUNXTGSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-12-3-5-14(6-4-12)11-17-18-13(2)15-7-9-16(10-8-15)19(20)21/h3-11H,1-2H3/b17-11+,18-13+.
What are the key properties of (E)-N-[(E)-(4-methylphenyl)methylideneamino]-1-(4-nitrophenyl)ethanimine?
(E)-N-[(E)-(4-methylphenyl)methylideneamino]-1-(4-nitrophenyl)ethanimine has a molecular weight of 281.32 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-(4-methylphenyl)methylideneamino]-1-(4-nitrophenyl)ethanimine is sourced from PubChem (CID 139599982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).