2-(4-ethoxyphenoxy)-5-nitroaniline

C14H14N2O4 — CID 62506652

IUPAC2-(4-ethoxyphenoxy)-5-nitroaniline
SMILESCCOc1ccc(Oc2ccc([N+](=O)[O-])cc2N)cc1
InChIInChI=1S/C14H14N2O4/c1-2-19-11-4-6-12(7-5-11)20-14-8-3-10(16(17)18)9-13(14)15/h3-9H,2,15H2,1H3
InChIKeyFCSURNXJTUDBBP-UHFFFAOYSA-N
MW274.28 g/mol
LogP3.37
Rot. Bonds5

About 2-(4-ethoxyphenoxy)-5-nitroaniline

2-(4-ethoxyphenoxy)-5-nitroaniline (PubChem CID 62506652) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-5-nitroaniline.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-5-nitroaniline
PubChem CID62506652
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name2-(4-ethoxyphenoxy)-5-nitroaniline
SMILESCCOc1ccc(Oc2ccc([N+](=O)[O-])cc2N)cc1
InChIInChI=1S/C14H14N2O4/c1-2-19-11-4-6-12(7-5-11)20-14-8-3-10(16(17)18)9-13(14)15/h3-9H,2,15H2,1H3
InChIKeyFCSURNXJTUDBBP-UHFFFAOYSA-N
XLogP3.37
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 53.37
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

2-(4-ethoxyphenoxy)-5-nitrobenzenesulfonamide
CID 16756875
2-(4-chloro-3-ethylphenoxy)-5-nitroaniline
CID 63458584
2-(3,4-dimethylphenoxy)-5-nitroaniline
CID 62507482
2-(3,4-difluorophenoxy)-5-nitroaniline
CID 62506985
5-tert-butyl-2-(4-nitrophenoxy)aniline
CID 8002852
2-(4-bromo-3,5-dimethylphenoxy)-5-nitroaniline
CID 107722583
2,4-dinitro-1-(4-propoxyphenoxy)benzene
CID 9111018
2-(3-bromo-4-fluorophenoxy)-5-nitroaniline
CID 83233807
2-[2-(2-butoxyethoxy)ethoxy]-5-nitroaniline
CID 70583822
2-(3-fluorophenoxy)-5-nitroaniline
CID 55079751
(2-ethoxy-5-nitrophenyl)methanamine
CID 43472563
ethane;1-ethoxy-4-nitrobenzene;methane;1-methoxy-4-nitrobenzene;4-nitrophenol
CID 158868272

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-5-nitroaniline?
The IUPAC name of 2-(4-ethoxyphenoxy)-5-nitroaniline (CID 62506652) is 2-(4-ethoxyphenoxy)-5-nitroaniline.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-5-nitroaniline?
The canonical SMILES for 2-(4-ethoxyphenoxy)-5-nitroaniline is CCOc1ccc(Oc2ccc([N+](=O)[O-])cc2N)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-5-nitroaniline?
The InChIKey is FCSURNXJTUDBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-2-19-11-4-6-12(7-5-11)20-14-8-3-10(16(17)18)9-13(14)15/h3-9H,2,15H2,1H3.
What are the key properties of 2-(4-ethoxyphenoxy)-5-nitroaniline?
2-(4-ethoxyphenoxy)-5-nitroaniline has a molecular weight of 274.28 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-5-nitroaniline is sourced from PubChem (CID 62506652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).