4-[(2-methoxyphenyl)diazenyl]-2-methylaniline

C14H15N3O — CID 4989294

IUPAC4-[(2-methoxyphenyl)diazenyl]-2-methylaniline
SMILESCOc1ccccc1/N=N/c1ccc(N)c(C)c1
InChIInChI=1S/C14H15N3O/c1-10-9-11(7-8-12(10)15)16-17-13-5-3-4-6-14(13)18-2/h3-9H,15H2,1-2H3/b17-16+
InChIKeyPAUQPPXARMMVRP-WUKNDPDISA-N
MW241.29 g/mol
LogP4.00
Rot. Bonds3

About 4-[(2-methoxyphenyl)diazenyl]-2-methylaniline

4-[(2-methoxyphenyl)diazenyl]-2-methylaniline (PubChem CID 4989294) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)diazenyl]-2-methylaniline.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)diazenyl]-2-methylaniline
PubChem CID4989294
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name4-[(2-methoxyphenyl)diazenyl]-2-methylaniline
SMILESCOc1ccccc1/N=N/c1ccc(N)c(C)c1
InChIInChI=1S/C14H15N3O/c1-10-9-11(7-8-12(10)15)16-17-13-5-3-4-6-14(13)18-2/h3-9H,15H2,1-2H3/b17-16+
InChIKeyPAUQPPXARMMVRP-WUKNDPDISA-N
XLogP4.00
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(2-methoxyphenyl)diazenyl]-2-methylaniline?
The IUPAC name of 4-[(2-methoxyphenyl)diazenyl]-2-methylaniline (CID 4989294) is 4-[(2-methoxyphenyl)diazenyl]-2-methylaniline.
What is the SMILES notation for 4-[(2-methoxyphenyl)diazenyl]-2-methylaniline?
The canonical SMILES for 4-[(2-methoxyphenyl)diazenyl]-2-methylaniline is COc1ccccc1/N=N/c1ccc(N)c(C)c1.
What is the InChIKey of 4-[(2-methoxyphenyl)diazenyl]-2-methylaniline?
The InChIKey is PAUQPPXARMMVRP-WUKNDPDISA-N. The full InChI is InChI=1S/C14H15N3O/c1-10-9-11(7-8-12(10)15)16-17-13-5-3-4-6-14(13)18-2/h3-9H,15H2,1-2H3/b17-16+.
What are the key properties of 4-[(2-methoxyphenyl)diazenyl]-2-methylaniline?
4-[(2-methoxyphenyl)diazenyl]-2-methylaniline has a molecular weight of 241.29 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)diazenyl]-2-methylaniline is sourced from PubChem (CID 4989294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).