3-ethoxy-N-(4-nitrophenyl)aniline

C14H14N2O3 — CID 4763850

IUPAC3-ethoxy-N-(4-nitrophenyl)aniline
SMILESCCOc1cccc(Nc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C14H14N2O3/c1-2-19-14-5-3-4-12(10-14)15-11-6-8-13(9-7-11)16(17)18/h3-10,15H,2H2,1H3
InChIKeySXHTUGSWTYUKOD-UHFFFAOYSA-N
MW258.28 g/mol
LogP3.74
Rot. Bonds5

About 3-ethoxy-N-(4-nitrophenyl)aniline

3-ethoxy-N-(4-nitrophenyl)aniline (PubChem CID 4763850) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-ethoxy-N-(4-nitrophenyl)aniline.

Molecular Properties

Compound Name3-ethoxy-N-(4-nitrophenyl)aniline
PubChem CID4763850
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name3-ethoxy-N-(4-nitrophenyl)aniline
SMILESCCOc1cccc(Nc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C14H14N2O3/c1-2-19-14-5-3-4-12(10-14)15-11-6-8-13(9-7-11)16(17)18/h3-10,15H,2H2,1H3
InChIKeySXHTUGSWTYUKOD-UHFFFAOYSA-N
XLogP3.74
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-(4-nitrophenyl)aniline
CID 4763849
3-(3-ethoxyanilino)-1-ethyl-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110585142
2-ethoxy-N-(4-nitrophenyl)aniline
CID 4763832
N-[(3-ethoxyphenyl)methylideneamino]-3-nitroaniline
CID 110842391
3-(3-ethoxyanilino)-1-(3-methylphenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110585660
2-bromo-4-(3-ethoxyanilino)benzonitrile
CID 107276122
6-chloro-N-(3-ethoxyphenyl)-5-nitropyrimidin-4-amine
CID 62100386
1-[3-(2-methoxyethoxy)phenyl]-3-(4-nitrophenyl)urea
CID 68651093
3-(methylsulfinylmethyl)-N-(4-nitrophenyl)aniline
CID 133430833
N-[(3-ethoxyphenyl)methyl]-4-nitrobenzamide
CID 71820489
3-ethoxy-4-(4-nitroanilino)cyclobut-3-ene-1,2-dione
CID 46845356
N-[(E)-(3-butoxyphenyl)methylideneamino]-4-nitroaniline
CID 110506439

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(4-nitrophenyl)aniline?
The IUPAC name of 3-ethoxy-N-(4-nitrophenyl)aniline (CID 4763850) is 3-ethoxy-N-(4-nitrophenyl)aniline.
What is the SMILES notation for 3-ethoxy-N-(4-nitrophenyl)aniline?
The canonical SMILES for 3-ethoxy-N-(4-nitrophenyl)aniline is CCOc1cccc(Nc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of 3-ethoxy-N-(4-nitrophenyl)aniline?
The InChIKey is SXHTUGSWTYUKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-2-19-14-5-3-4-12(10-14)15-11-6-8-13(9-7-11)16(17)18/h3-10,15H,2H2,1H3.
What are the key properties of 3-ethoxy-N-(4-nitrophenyl)aniline?
3-ethoxy-N-(4-nitrophenyl)aniline has a molecular weight of 258.28 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(4-nitrophenyl)aniline is sourced from PubChem (CID 4763850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).