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

C16H19N3 — CID 88707327

IUPAC2-[(2,3-dimethylphenyl)diazenyl]-3,4-dimethylaniline
SMILESCc1cccc(/N=N/c2c(N)ccc(C)c2C)c1C
InChIInChI=1S/C16H19N3/c1-10-6-5-7-15(12(10)3)18-19-16-13(4)11(2)8-9-14(16)17/h5-9H,17H2,1-4H3/b19-18+
InChIKeyNUWUBARWSZYTKN-VHEBQXMUSA-N
MW253.35 g/mol
LogP4.92
Rot. Bonds2

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

2-[(2,3-dimethylphenyl)diazenyl]-3,4-dimethylaniline (PubChem CID 88707327) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[(2,3-dimethylphenyl)diazenyl]-3,4-dimethylaniline.

Molecular Properties

Compound Name2-[(2,3-dimethylphenyl)diazenyl]-3,4-dimethylaniline
PubChem CID88707327
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name2-[(2,3-dimethylphenyl)diazenyl]-3,4-dimethylaniline
SMILESCc1cccc(/N=N/c2c(N)ccc(C)c2C)c1C
InChIInChI=1S/C16H19N3/c1-10-6-5-7-15(12(10)3)18-19-16-13(4)11(2)8-9-14(16)17/h5-9H,17H2,1-4H3/b19-18+
InChIKeyNUWUBARWSZYTKN-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 2-[(2,3-dimethylphenyl)diazenyl]-3,4-dimethylaniline?
The IUPAC name of 2-[(2,3-dimethylphenyl)diazenyl]-3,4-dimethylaniline (CID 88707327) is 2-[(2,3-dimethylphenyl)diazenyl]-3,4-dimethylaniline.
What is the SMILES notation for 2-[(2,3-dimethylphenyl)diazenyl]-3,4-dimethylaniline?
The canonical SMILES for 2-[(2,3-dimethylphenyl)diazenyl]-3,4-dimethylaniline is Cc1cccc(/N=N/c2c(N)ccc(C)c2C)c1C.
What is the InChIKey of 2-[(2,3-dimethylphenyl)diazenyl]-3,4-dimethylaniline?
The InChIKey is NUWUBARWSZYTKN-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H19N3/c1-10-6-5-7-15(12(10)3)18-19-16-13(4)11(2)8-9-14(16)17/h5-9H,17H2,1-4H3/b19-18+.
What are the key properties of 2-[(2,3-dimethylphenyl)diazenyl]-3,4-dimethylaniline?
2-[(2,3-dimethylphenyl)diazenyl]-3,4-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 2-[(2,3-dimethylphenyl)diazenyl]-3,4-dimethylaniline is sourced from PubChem (CID 88707327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).