2-diazenyl-4-(2,6-dimethylphenyl)-6-methylaniline

C15H17N3 — CID 89367614

IUPAC2-diazenyl-4-(2,6-dimethylphenyl)-6-methylaniline
SMILES[H]/N=N/c1cc(-c2c(C)cccc2C)cc(C)c1N
InChIInChI=1S/C15H17N3/c1-9-5-4-6-10(2)14(9)12-7-11(3)15(16)13(8-12)18-17/h4-8,17H,16H2,1-3H3/b18-17+
InChIKeyQOVBYHBEPIPINI-ISLYRVAYSA-N
MW239.32 g/mol
LogP4.52
Rot. Bonds2

About 2-diazenyl-4-(2,6-dimethylphenyl)-6-methylaniline

2-diazenyl-4-(2,6-dimethylphenyl)-6-methylaniline (PubChem CID 89367614) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-diazenyl-4-(2,6-dimethylphenyl)-6-methylaniline.

Molecular Properties

Compound Name2-diazenyl-4-(2,6-dimethylphenyl)-6-methylaniline
PubChem CID89367614
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name2-diazenyl-4-(2,6-dimethylphenyl)-6-methylaniline
SMILES[H]/N=N/c1cc(-c2c(C)cccc2C)cc(C)c1N
InChIInChI=1S/C15H17N3/c1-9-5-4-6-10(2)14(9)12-7-11(3)15(16)13(8-12)18-17/h4-8,17H,16H2,1-3H3/b18-17+
InChIKeyQOVBYHBEPIPINI-ISLYRVAYSA-N
XLogP4.52
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 54.52
H-Bond Donors ≤ 52
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 2-diazenyl-4-(2,6-dimethylphenyl)-6-methylaniline?
The IUPAC name of 2-diazenyl-4-(2,6-dimethylphenyl)-6-methylaniline (CID 89367614) is 2-diazenyl-4-(2,6-dimethylphenyl)-6-methylaniline.
What is the SMILES notation for 2-diazenyl-4-(2,6-dimethylphenyl)-6-methylaniline?
The canonical SMILES for 2-diazenyl-4-(2,6-dimethylphenyl)-6-methylaniline is [H]/N=N/c1cc(-c2c(C)cccc2C)cc(C)c1N.
What is the InChIKey of 2-diazenyl-4-(2,6-dimethylphenyl)-6-methylaniline?
The InChIKey is QOVBYHBEPIPINI-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H17N3/c1-9-5-4-6-10(2)14(9)12-7-11(3)15(16)13(8-12)18-17/h4-8,17H,16H2,1-3H3/b18-17+.
What are the key properties of 2-diazenyl-4-(2,6-dimethylphenyl)-6-methylaniline?
2-diazenyl-4-(2,6-dimethylphenyl)-6-methylaniline has a molecular weight of 239.32 g/mol, XLogP of 4.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazenyl-4-(2,6-dimethylphenyl)-6-methylaniline is sourced from PubChem (CID 89367614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).