4-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]aniline

C14H13N3O3 — CID 110509079

IUPAC4-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]aniline
SMILESCOc1ccc(N/N=C/c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C14H13N3O3/c1-20-14-7-5-12(6-8-14)16-15-10-11-3-2-4-13(9-11)17(18)19/h2-10,16H,1H3/b15-10+
InChIKeyVNWATRJYKWUAGU-XNTDXEJSSA-N
MW271.28 g/mol
LogP3.05
Rot. Bonds5

About 4-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]aniline

4-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]aniline (PubChem CID 110509079) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 4-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]aniline.

Molecular Properties

Compound Name4-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]aniline
PubChem CID110509079
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name4-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]aniline
SMILESCOc1ccc(N/N=C/c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C14H13N3O3/c1-20-14-7-5-12(6-8-14)16-15-10-11-3-2-4-13(9-11)17(18)19/h2-10,16H,1H3/b15-10+
InChIKeyVNWATRJYKWUAGU-XNTDXEJSSA-N
XLogP3.05
TPSA76.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[(4-methoxyphenyl)methylideneamino]-3-nitroaniline
CID 3290260
4-methoxy-N-[2-[(3-nitrophenyl)methylideneamino]ethyl]aniline
CID 100940371
4-methoxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 5403791
4-N-(4-methoxyphenyl)-6-methyl-5-nitro-2-N-[(3-nitrophenyl)methylideneamino]pyrimidine-2,4-diamine
CID 3096826
2-(4-methoxyphenoxy)-N-[(3-nitrophenyl)methylideneamino]acetamide
CID 774611
2,6-dibromo-4-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]phenol
CID 21204190
4-methoxy-N-[2-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4998778
3-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 110509088
3-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol
CID 9077514
3-chloro-N-[(Z)-(3-nitrophenyl)methylideneamino]aniline
CID 9076615
3,4-dichloro-N-[(3-nitrophenyl)methylideneamino]aniline
CID 78596754
N-[(3-ethoxyphenyl)methylideneamino]-3-nitroaniline
CID 110842391

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]aniline?
The IUPAC name of 4-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]aniline (CID 110509079) is 4-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]aniline.
What is the SMILES notation for 4-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]aniline?
The canonical SMILES for 4-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]aniline is COc1ccc(N/N=C/c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of 4-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]aniline?
The InChIKey is VNWATRJYKWUAGU-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-20-14-7-5-12(6-8-14)16-15-10-11-3-2-4-13(9-11)17(18)19/h2-10,16H,1H3/b15-10+.
What are the key properties of 4-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]aniline?
4-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]aniline has a molecular weight of 271.28 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]aniline is sourced from PubChem (CID 110509079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).