4-methyl-2-[(4-methylphenyl)diazenyl]aniline

C14H15N3 — CID 571869

IUPAC4-methyl-2-[(4-methylphenyl)diazenyl]aniline
SMILESCc1ccc(/N=N/c2cc(C)ccc2N)cc1
InChIInChI=1S/C14H15N3/c1-10-3-6-12(7-4-10)16-17-14-9-11(2)5-8-13(14)15/h3-9H,15H2,1-2H3/b17-16+
InChIKeyBBVUAJTZGSWJDD-WUKNDPDISA-N
MW225.29 g/mol
LogP4.30
Rot. Bonds2

About 4-methyl-2-[(4-methylphenyl)diazenyl]aniline

4-methyl-2-[(4-methylphenyl)diazenyl]aniline (PubChem CID 571869) has the molecular formula C14H15N3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-methyl-2-[(4-methylphenyl)diazenyl]aniline.

Molecular Properties

Compound Name4-methyl-2-[(4-methylphenyl)diazenyl]aniline
PubChem CID571869
Molecular FormulaC14H15N3
Molecular Weight225.29 g/mol
Exact Mass225.13
IUPAC Name4-methyl-2-[(4-methylphenyl)diazenyl]aniline
SMILESCc1ccc(/N=N/c2cc(C)ccc2N)cc1
InChIInChI=1S/C14H15N3/c1-10-3-6-12(7-4-10)16-17-14-9-11(2)5-8-13(14)15/h3-9H,15H2,1-2H3/b17-16+
InChIKeyBBVUAJTZGSWJDD-WUKNDPDISA-N
XLogP4.30
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methyl-2-[(4-methylphenyl)diazenyl]aniline?
The IUPAC name of 4-methyl-2-[(4-methylphenyl)diazenyl]aniline (CID 571869) is 4-methyl-2-[(4-methylphenyl)diazenyl]aniline.
What is the SMILES notation for 4-methyl-2-[(4-methylphenyl)diazenyl]aniline?
The canonical SMILES for 4-methyl-2-[(4-methylphenyl)diazenyl]aniline is Cc1ccc(/N=N/c2cc(C)ccc2N)cc1.
What is the InChIKey of 4-methyl-2-[(4-methylphenyl)diazenyl]aniline?
The InChIKey is BBVUAJTZGSWJDD-WUKNDPDISA-N. The full InChI is InChI=1S/C14H15N3/c1-10-3-6-12(7-4-10)16-17-14-9-11(2)5-8-13(14)15/h3-9H,15H2,1-2H3/b17-16+.
What are the key properties of 4-methyl-2-[(4-methylphenyl)diazenyl]aniline?
4-methyl-2-[(4-methylphenyl)diazenyl]aniline has a molecular weight of 225.29 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methylphenyl)diazenyl]aniline is sourced from PubChem (CID 571869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).