3-(4-methoxy-2-nitrophenoxy)aniline

C13H12N2O4 — CID 54908684

IUPAC3-(4-methoxy-2-nitrophenoxy)aniline
SMILESCOc1ccc(Oc2cccc(N)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H12N2O4/c1-18-10-5-6-13(12(8-10)15(16)17)19-11-4-2-3-9(14)7-11/h2-8H,14H2,1H3
InChIKeyMGBZBPKFKLHFHP-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.98
Rot. Bonds4

About 3-(4-methoxy-2-nitrophenoxy)aniline

3-(4-methoxy-2-nitrophenoxy)aniline (PubChem CID 54908684) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 3-(4-methoxy-2-nitrophenoxy)aniline.

Molecular Properties

Compound Name3-(4-methoxy-2-nitrophenoxy)aniline
PubChem CID54908684
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name3-(4-methoxy-2-nitrophenoxy)aniline
SMILESCOc1ccc(Oc2cccc(N)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H12N2O4/c1-18-10-5-6-13(12(8-10)15(16)17)19-11-4-2-3-9(14)7-11/h2-8H,14H2,1H3
InChIKeyMGBZBPKFKLHFHP-UHFFFAOYSA-N
XLogP2.98
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-(4-methoxy-2-nitrophenoxy)aniline
CID 54908814
3-(4-methyl-2-nitrophenoxy)aniline
CID 54908905
1-[3-(4-methoxy-2-nitrophenoxy)phenyl]ethanamine
CID 79166618
3-(2-nitrophenoxy)aniline
CID 12638058
3-(4-fluoro-5-methyl-2-nitrophenoxy)aniline
CID 103594291
4-methoxy-1-(4-methylsulfonylphenoxy)-2-nitrobenzene
CID 163575479
1-(4-bromo-2-nitrophenoxy)-4-methoxy-2-nitrobenzene
CID 55502713
3-(5-chloro-2-nitrophenoxy)aniline
CID 113316446
3-(4-methoxy-2-nitrophenoxy)-5-methylphenol
CID 107680500
1-[3-(5-methoxy-2-nitrophenoxy)phenyl]ethanamine
CID 102702770
3-(8-nitroisoquinolin-5-yl)oxyaniline
CID 61027707
3-methoxyaniline;sulfane
CID 174447811

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2-nitrophenoxy)aniline?
The IUPAC name of 3-(4-methoxy-2-nitrophenoxy)aniline (CID 54908684) is 3-(4-methoxy-2-nitrophenoxy)aniline.
What is the SMILES notation for 3-(4-methoxy-2-nitrophenoxy)aniline?
The canonical SMILES for 3-(4-methoxy-2-nitrophenoxy)aniline is COc1ccc(Oc2cccc(N)c2)c([N+](=O)[O-])c1.
What is the InChIKey of 3-(4-methoxy-2-nitrophenoxy)aniline?
The InChIKey is MGBZBPKFKLHFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-18-10-5-6-13(12(8-10)15(16)17)19-11-4-2-3-9(14)7-11/h2-8H,14H2,1H3.
What are the key properties of 3-(4-methoxy-2-nitrophenoxy)aniline?
3-(4-methoxy-2-nitrophenoxy)aniline has a molecular weight of 260.25 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2-nitrophenoxy)aniline is sourced from PubChem (CID 54908684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).