2-ethoxy-N-[(2-ethoxyphenyl)diazenyl]aniline

C16H19N3O2 — CID 91159930

IUPAC2-ethoxy-N-[(2-ethoxyphenyl)diazenyl]aniline
SMILESCCOc1ccccc1/N=N/Nc1ccccc1OCC
InChIInChI=1S/C16H19N3O2/c1-3-20-15-11-7-5-9-13(15)17-19-18-14-10-6-8-12-16(14)21-4-2/h5-12H,3-4H2,1-2H3,(H,17,18)
InChIKeyNMNOMIJUODVCJB-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.59
Rot. Bonds7

About 2-ethoxy-N-[(2-ethoxyphenyl)diazenyl]aniline

2-ethoxy-N-[(2-ethoxyphenyl)diazenyl]aniline (PubChem CID 91159930) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-ethoxy-N-[(2-ethoxyphenyl)diazenyl]aniline.

Molecular Properties

Compound Name2-ethoxy-N-[(2-ethoxyphenyl)diazenyl]aniline
PubChem CID91159930
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-ethoxy-N-[(2-ethoxyphenyl)diazenyl]aniline
SMILESCCOc1ccccc1/N=N/Nc1ccccc1OCC
InChIInChI=1S/C16H19N3O2/c1-3-20-15-11-7-5-9-13(15)17-19-18-14-10-6-8-12-16(14)21-4-2/h5-12H,3-4H2,1-2H3,(H,17,18)
InChIKeyNMNOMIJUODVCJB-UHFFFAOYSA-N
XLogP4.59
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-ethoxyphenyl)-pyridin-2-yldiazene
CID 122538186
(2-ethoxyphenyl)-(1H-pyrrol-2-yl)diazene
CID 137178674
(2-ethoxyphenyl)-[(2-ethoxyphenyl)hydrazinylidene]-(hydroxymethyl)azanium
CID 91130370
N-(2-ethoxyphenyl)methanethioamide
CID 88853700
5-[(2-ethoxyphenyl)diazenyl]-1H-pyrrol-2-ol
CID 137178675
4-(2-ethoxyanilino)-2-methylbutan-2-ol
CID 79359575
N-(2-ethoxyphenyl)methanesulfinothioamide
CID 146252232
2-ethoxy-N-(2-fluoroethyl)aniline
CID 80699443
3-(2-ethoxyanilino)propanamide
CID 43131857
N-(2-ethoxyphenyl)formamide;molecular hydrogen
CID 142473191
N-(2,2-diethoxyethyl)-2-ethoxyaniline
CID 81093703
2-[4-(2-ethoxyanilino)anilino]phenol
CID 139619306

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(2-ethoxyphenyl)diazenyl]aniline?
The IUPAC name of 2-ethoxy-N-[(2-ethoxyphenyl)diazenyl]aniline (CID 91159930) is 2-ethoxy-N-[(2-ethoxyphenyl)diazenyl]aniline.
What is the SMILES notation for 2-ethoxy-N-[(2-ethoxyphenyl)diazenyl]aniline?
The canonical SMILES for 2-ethoxy-N-[(2-ethoxyphenyl)diazenyl]aniline is CCOc1ccccc1/N=N/Nc1ccccc1OCC.
What is the InChIKey of 2-ethoxy-N-[(2-ethoxyphenyl)diazenyl]aniline?
The InChIKey is NMNOMIJUODVCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-20-15-11-7-5-9-13(15)17-19-18-14-10-6-8-12-16(14)21-4-2/h5-12H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 2-ethoxy-N-[(2-ethoxyphenyl)diazenyl]aniline?
2-ethoxy-N-[(2-ethoxyphenyl)diazenyl]aniline has a molecular weight of 285.35 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(2-ethoxyphenyl)diazenyl]aniline is sourced from PubChem (CID 91159930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).