4-[(4-ethoxyphenyl)diazenyl]benzene-1,3-diamine

C14H16N4O — CID 16837

IUPAC4-[(4-ethoxyphenyl)diazenyl]benzene-1,3-diamine
SMILESCCOc1ccc(/N=N/c2ccc(N)cc2N)cc1
InChIInChI=1S/C14H16N4O/c1-2-19-12-6-4-11(5-7-12)17-18-14-8-3-10(15)9-13(14)16/h3-9H,2,15-16H2,1H3/b18-17+
InChIKeyGAWOVNGQYQVFLI-ISLYRVAYSA-N
MW256.31 g/mol
LogP3.67
Rot. Bonds4

About 4-[(4-ethoxyphenyl)diazenyl]benzene-1,3-diamine

4-[(4-ethoxyphenyl)diazenyl]benzene-1,3-diamine (PubChem CID 16837) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-[(4-ethoxyphenyl)diazenyl]benzene-1,3-diamine.

Molecular Properties

Compound Name4-[(4-ethoxyphenyl)diazenyl]benzene-1,3-diamine
PubChem CID16837
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name4-[(4-ethoxyphenyl)diazenyl]benzene-1,3-diamine
SMILESCCOc1ccc(/N=N/c2ccc(N)cc2N)cc1
InChIInChI=1S/C14H16N4O/c1-2-19-12-6-4-11(5-7-12)17-18-14-8-3-10(15)9-13(14)16/h3-9H,2,15-16H2,1H3/b18-17+
InChIKeyGAWOVNGQYQVFLI-ISLYRVAYSA-N
XLogP3.67
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenyl)diazenyl]benzene-1,3-diamine?
The IUPAC name of 4-[(4-ethoxyphenyl)diazenyl]benzene-1,3-diamine (CID 16837) is 4-[(4-ethoxyphenyl)diazenyl]benzene-1,3-diamine.
What is the SMILES notation for 4-[(4-ethoxyphenyl)diazenyl]benzene-1,3-diamine?
The canonical SMILES for 4-[(4-ethoxyphenyl)diazenyl]benzene-1,3-diamine is CCOc1ccc(/N=N/c2ccc(N)cc2N)cc1.
What is the InChIKey of 4-[(4-ethoxyphenyl)diazenyl]benzene-1,3-diamine?
The InChIKey is GAWOVNGQYQVFLI-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-2-19-12-6-4-11(5-7-12)17-18-14-8-3-10(15)9-13(14)16/h3-9H,2,15-16H2,1H3/b18-17+.
What are the key properties of 4-[(4-ethoxyphenyl)diazenyl]benzene-1,3-diamine?
4-[(4-ethoxyphenyl)diazenyl]benzene-1,3-diamine has a molecular weight of 256.31 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxyphenyl)diazenyl]benzene-1,3-diamine is sourced from PubChem (CID 16837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).