2-methyl-4-[(4-methylphenyl)diazenyl]benzene-1,3-diamine

C14H16N4 — CID 95930154

IUPAC2-methyl-4-[(4-methylphenyl)diazenyl]benzene-1,3-diamine
SMILESCc1ccc(/N=N/c2ccc(N)c(C)c2N)cc1
InChIInChI=1S/C14H16N4/c1-9-3-5-11(6-4-9)17-18-13-8-7-12(15)10(2)14(13)16/h3-8H,15-16H2,1-2H3/b18-17+
InChIKeyMUHMVIFYZSZSAA-ISLYRVAYSA-N
MW240.31 g/mol
LogP3.88
Rot. Bonds2

About 2-methyl-4-[(4-methylphenyl)diazenyl]benzene-1,3-diamine

2-methyl-4-[(4-methylphenyl)diazenyl]benzene-1,3-diamine (PubChem CID 95930154) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-methyl-4-[(4-methylphenyl)diazenyl]benzene-1,3-diamine.

Molecular Properties

Compound Name2-methyl-4-[(4-methylphenyl)diazenyl]benzene-1,3-diamine
PubChem CID95930154
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name2-methyl-4-[(4-methylphenyl)diazenyl]benzene-1,3-diamine
SMILESCc1ccc(/N=N/c2ccc(N)c(C)c2N)cc1
InChIInChI=1S/C14H16N4/c1-9-3-5-11(6-4-9)17-18-13-8-7-12(15)10(2)14(13)16/h3-8H,15-16H2,1-2H3/b18-17+
InChIKeyMUHMVIFYZSZSAA-ISLYRVAYSA-N
XLogP3.88
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.88
H-Bond Donors ≤ 52
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 2-methyl-4-[(4-methylphenyl)diazenyl]benzene-1,3-diamine?
The IUPAC name of 2-methyl-4-[(4-methylphenyl)diazenyl]benzene-1,3-diamine (CID 95930154) is 2-methyl-4-[(4-methylphenyl)diazenyl]benzene-1,3-diamine.
What is the SMILES notation for 2-methyl-4-[(4-methylphenyl)diazenyl]benzene-1,3-diamine?
The canonical SMILES for 2-methyl-4-[(4-methylphenyl)diazenyl]benzene-1,3-diamine is Cc1ccc(/N=N/c2ccc(N)c(C)c2N)cc1.
What is the InChIKey of 2-methyl-4-[(4-methylphenyl)diazenyl]benzene-1,3-diamine?
The InChIKey is MUHMVIFYZSZSAA-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H16N4/c1-9-3-5-11(6-4-9)17-18-13-8-7-12(15)10(2)14(13)16/h3-8H,15-16H2,1-2H3/b18-17+.
What are the key properties of 2-methyl-4-[(4-methylphenyl)diazenyl]benzene-1,3-diamine?
2-methyl-4-[(4-methylphenyl)diazenyl]benzene-1,3-diamine has a molecular weight of 240.31 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(4-methylphenyl)diazenyl]benzene-1,3-diamine is sourced from PubChem (CID 95930154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).