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

C14H14N2O3 — CID 4763832

IUPAC2-ethoxy-N-(4-nitrophenyl)aniline
SMILESCCOc1ccccc1Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H14N2O3/c1-2-19-14-6-4-3-5-13(14)15-11-7-9-12(10-8-11)16(17)18/h3-10,15H,2H2,1H3
InChIKeyXCCDJDFXRHRZRH-UHFFFAOYSA-N
MW258.28 g/mol
LogP3.74
Rot. Bonds5

About 2-ethoxy-N-(4-nitrophenyl)aniline

2-ethoxy-N-(4-nitrophenyl)aniline (PubChem CID 4763832) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-ethoxy-N-(4-nitrophenyl)aniline.

Molecular Properties

Compound Name2-ethoxy-N-(4-nitrophenyl)aniline
PubChem CID4763832
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-ethoxy-N-(4-nitrophenyl)aniline
SMILESCCOc1ccccc1Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H14N2O3/c1-2-19-14-6-4-3-5-13(14)15-11-7-9-12(10-8-11)16(17)18/h3-10,15H,2H2,1H3
InChIKeyXCCDJDFXRHRZRH-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-N-(2-ethoxyphenyl)-1-N-methyl-5-nitrobenzene-1,3-diamine
CID 80736535
N-(2-ethoxyphenyl)-4-nitrobenzenesulfonamide
CID 779776
2-[4-(2-ethoxyanilino)anilino]phenol
CID 139619306
N-[1-(2-ethoxyphenyl)ethyl]-4-nitroaniline
CID 43719782
3-ethoxy-N-(4-nitrophenyl)aniline
CID 4763850
2-ethoxy-N-[2-(4-nitroanilino)ethyl]benzamide
CID 41262664
2-(4-nitroanilino)phenol
CID 14224817
4-[[6-(2-ethoxyanilino)-5-nitropyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide
CID 22527908
N-(2-ethoxyphenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine
CID 3941145
2-N-(4-nitrophenyl)benzene-1,2-diamine
CID 13095074
2-amino-5-(2-ethoxyanilino)benzamide
CID 61305584
3-ethoxy-4-(4-nitroanilino)cyclobut-3-ene-1,2-dione
CID 46845356

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(4-nitrophenyl)aniline?
The IUPAC name of 2-ethoxy-N-(4-nitrophenyl)aniline (CID 4763832) is 2-ethoxy-N-(4-nitrophenyl)aniline.
What is the SMILES notation for 2-ethoxy-N-(4-nitrophenyl)aniline?
The canonical SMILES for 2-ethoxy-N-(4-nitrophenyl)aniline is CCOc1ccccc1Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-ethoxy-N-(4-nitrophenyl)aniline?
The InChIKey is XCCDJDFXRHRZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-2-19-14-6-4-3-5-13(14)15-11-7-9-12(10-8-11)16(17)18/h3-10,15H,2H2,1H3.
What are the key properties of 2-ethoxy-N-(4-nitrophenyl)aniline?
2-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 2-ethoxy-N-(4-nitrophenyl)aniline is sourced from PubChem (CID 4763832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).