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

C13H12N2O4 — CID 54908814

IUPAC4-(4-methoxy-2-nitrophenoxy)aniline
SMILESCOc1ccc(Oc2ccc(N)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H12N2O4/c1-18-11-6-7-13(12(8-11)15(16)17)19-10-4-2-9(14)3-5-10/h2-8H,14H2,1H3
InChIKeyDBWAZNFTXZJUJQ-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.98
Rot. Bonds4

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

4-(4-methoxy-2-nitrophenoxy)aniline (PubChem CID 54908814) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 4-(4-methoxy-2-nitrophenoxy)aniline.

Molecular Properties

Compound Name4-(4-methoxy-2-nitrophenoxy)aniline
PubChem CID54908814
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name4-(4-methoxy-2-nitrophenoxy)aniline
SMILESCOc1ccc(Oc2ccc(N)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H12N2O4/c1-18-11-6-7-13(12(8-11)15(16)17)19-10-4-2-9(14)3-5-10/h2-8H,14H2,1H3
InChIKeyDBWAZNFTXZJUJQ-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(4-methoxy-2-nitrophenoxy)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-methoxy-2-nitrophenoxy)aniline
CID 54908684
4-methoxy-1-(4-methylsulfonylphenoxy)-2-nitrobenzene
CID 163575479
4-(4-methylsulfonyl-2-nitrophenoxy)aniline
CID 61027295
1-(4-bromo-2-nitrophenoxy)-4-methoxy-2-nitrobenzene
CID 55502713
3-(4-methoxy-2-nitrophenoxy)-5-methylphenol
CID 107680500
1-[3-(4-methoxy-2-nitrophenoxy)phenyl]ethanamine
CID 79166618
4-(4-bromo-5-fluoro-2-nitrophenoxy)aniline
CID 66110501
5-chloro-4-(4-methoxy-2-nitrophenoxy)pyrimidin-2-amine
CID 80870955
4-(2-chlorophenoxy)aniline;3-nitro-4-phenoxyaniline
CID 157443998
[4-(4-acetyloxy-2-nitrophenoxy)phenyl] acetate
CID 141129128
[4-chloro-2-(4-methoxy-2-nitrophenoxy)phenyl]methanamine
CID 114856709
3-chloro-4-(4-methoxy-2-nitrophenoxy)-1,2,5-thiadiazole
CID 60726071

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2-nitrophenoxy)aniline?
The IUPAC name of 4-(4-methoxy-2-nitrophenoxy)aniline (CID 54908814) is 4-(4-methoxy-2-nitrophenoxy)aniline.
What is the SMILES notation for 4-(4-methoxy-2-nitrophenoxy)aniline?
The canonical SMILES for 4-(4-methoxy-2-nitrophenoxy)aniline is COc1ccc(Oc2ccc(N)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(4-methoxy-2-nitrophenoxy)aniline?
The InChIKey is DBWAZNFTXZJUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-18-11-6-7-13(12(8-11)15(16)17)19-10-4-2-9(14)3-5-10/h2-8H,14H2,1H3.
What are the key properties of 4-(4-methoxy-2-nitrophenoxy)aniline?
4-(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 4-(4-methoxy-2-nitrophenoxy)aniline is sourced from PubChem (CID 54908814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).