(E)-1-(4-nitrophenyl)-N-phenylmethoxymethanimine

C14H12N2O3 — CID 13147214

IUPAC(E)-1-(4-nitrophenyl)-N-phenylmethoxymethanimine
SMILESO=[N+]([O-])c1ccc(/C=N/OCc2ccccc2)cc1
InChIInChI=1S/C14H12N2O3/c17-16(18)14-8-6-12(7-9-14)10-15-19-11-13-4-2-1-3-5-13/h1-10H,11H2/b15-10+
InChIKeyROGPYBXTZSTUPG-XNTDXEJSSA-N
MW256.26 g/mol
LogP3.15
Rot. Bonds5

About (E)-1-(4-nitrophenyl)-N-phenylmethoxymethanimine

(E)-1-(4-nitrophenyl)-N-phenylmethoxymethanimine (PubChem CID 13147214) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is (E)-1-(4-nitrophenyl)-N-phenylmethoxymethanimine.

Molecular Properties

Compound Name(E)-1-(4-nitrophenyl)-N-phenylmethoxymethanimine
PubChem CID13147214
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name(E)-1-(4-nitrophenyl)-N-phenylmethoxymethanimine
SMILESO=[N+]([O-])c1ccc(/C=N/OCc2ccccc2)cc1
InChIInChI=1S/C14H12N2O3/c17-16(18)14-8-6-12(7-9-14)10-15-19-11-13-4-2-1-3-5-13/h1-10H,11H2/b15-10+
InChIKeyROGPYBXTZSTUPG-XNTDXEJSSA-N
XLogP3.15
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 53.15
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

1-[4-[[(E)-benzylideneamino]oxymethyl]phenyl]-N-methyl-N-[[4-[[(E)-(4-nitrophenyl)methylideneamino]oxymethyl]phenyl]methyl]methanamine
CID 11038652
(Z)-1-(4-methylphenyl)-N-[(4-nitrophenyl)methoxy]methanimine
CID 7705187
N-[[4-[(benzylideneamino)oxymethyl]phenyl]methoxy]-1-phenylmethanimine
CID 2457580
N-hydroxy-3-[4-[(E)-(4-nitrophenyl)methoxyiminomethyl]phenyl]prop-2-ynamide
CID 44592022
1-(4-nitrophenyl)-N-[(1R)-1-phenyl-2-phenylmethoxyethyl]methanimine
CID 135078094
(Z)-1-[4-(difluoromethoxy)phenyl]-N-[(3-nitrophenyl)methoxy]methanimine
CID 41076615
(E)-N-[(E)-(4-nitrophenyl)methylideneamino]-1-phenylmethanimine
CID 139599955
1-[4-[(4-nitrophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126218574
N'-[(4-nitrophenyl)methoxy]-2-phenylethanimidamide
CID 52530036
(E)-N-[(4-chlorophenyl)methoxy]-1-phenylmethanimine
CID 117060747
1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 561294
N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 6167073

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-nitrophenyl)-N-phenylmethoxymethanimine?
The IUPAC name of (E)-1-(4-nitrophenyl)-N-phenylmethoxymethanimine (CID 13147214) is (E)-1-(4-nitrophenyl)-N-phenylmethoxymethanimine.
What is the SMILES notation for (E)-1-(4-nitrophenyl)-N-phenylmethoxymethanimine?
The canonical SMILES for (E)-1-(4-nitrophenyl)-N-phenylmethoxymethanimine is O=[N+]([O-])c1ccc(/C=N/OCc2ccccc2)cc1.
What is the InChIKey of (E)-1-(4-nitrophenyl)-N-phenylmethoxymethanimine?
The InChIKey is ROGPYBXTZSTUPG-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H12N2O3/c17-16(18)14-8-6-12(7-9-14)10-15-19-11-13-4-2-1-3-5-13/h1-10H,11H2/b15-10+.
What are the key properties of (E)-1-(4-nitrophenyl)-N-phenylmethoxymethanimine?
(E)-1-(4-nitrophenyl)-N-phenylmethoxymethanimine has a molecular weight of 256.26 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-nitrophenyl)-N-phenylmethoxymethanimine is sourced from PubChem (CID 13147214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).