4-[(2,6-dimethylphenyl)diazenyl]-3,5-dimethylaniline

C16H19N3 — CID 102503895

IUPAC4-[(2,6-dimethylphenyl)diazenyl]-3,5-dimethylaniline
SMILESCc1cccc(C)c1/N=N/c1c(C)cc(N)cc1C
InChIInChI=1S/C16H19N3/c1-10-6-5-7-11(2)15(10)18-19-16-12(3)8-14(17)9-13(16)4/h5-9H,17H2,1-4H3/b19-18+
InChIKeyPWYBBIJEVYCLEO-VHEBQXMUSA-N
MW253.35 g/mol
LogP4.92
Rot. Bonds2

About 4-[(2,6-dimethylphenyl)diazenyl]-3,5-dimethylaniline

4-[(2,6-dimethylphenyl)diazenyl]-3,5-dimethylaniline (PubChem CID 102503895) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-[(2,6-dimethylphenyl)diazenyl]-3,5-dimethylaniline.

Molecular Properties

Compound Name4-[(2,6-dimethylphenyl)diazenyl]-3,5-dimethylaniline
PubChem CID102503895
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name4-[(2,6-dimethylphenyl)diazenyl]-3,5-dimethylaniline
SMILESCc1cccc(C)c1/N=N/c1c(C)cc(N)cc1C
InChIInChI=1S/C16H19N3/c1-10-6-5-7-11(2)15(10)18-19-16-12(3)8-14(17)9-13(16)4/h5-9H,17H2,1-4H3/b19-18+
InChIKeyPWYBBIJEVYCLEO-VHEBQXMUSA-N
XLogP4.92
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 54.92
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-[(2,6-dimethylphenyl)diazenyl]-3,5-dimethylaniline?
The IUPAC name of 4-[(2,6-dimethylphenyl)diazenyl]-3,5-dimethylaniline (CID 102503895) is 4-[(2,6-dimethylphenyl)diazenyl]-3,5-dimethylaniline.
What is the SMILES notation for 4-[(2,6-dimethylphenyl)diazenyl]-3,5-dimethylaniline?
The canonical SMILES for 4-[(2,6-dimethylphenyl)diazenyl]-3,5-dimethylaniline is Cc1cccc(C)c1/N=N/c1c(C)cc(N)cc1C.
What is the InChIKey of 4-[(2,6-dimethylphenyl)diazenyl]-3,5-dimethylaniline?
The InChIKey is PWYBBIJEVYCLEO-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H19N3/c1-10-6-5-7-11(2)15(10)18-19-16-12(3)8-14(17)9-13(16)4/h5-9H,17H2,1-4H3/b19-18+.
What are the key properties of 4-[(2,6-dimethylphenyl)diazenyl]-3,5-dimethylaniline?
4-[(2,6-dimethylphenyl)diazenyl]-3,5-dimethylaniline has a molecular weight of 253.35 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylphenyl)diazenyl]-3,5-dimethylaniline is sourced from PubChem (CID 102503895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).