2-[(4-amino-3,5-diethylphenyl)diazenyl]phenol

C16H19N3O — CID 139924710

IUPAC2-[(4-amino-3,5-diethylphenyl)diazenyl]phenol
SMILESCCc1cc(/N=N/c2ccccc2O)cc(CC)c1N
InChIInChI=1S/C16H19N3O/c1-3-11-9-13(10-12(4-2)16(11)17)18-19-14-7-5-6-8-15(14)20/h5-10,20H,3-4,17H2,1-2H3/b19-18+
InChIKeyRDPNCPUNAMRFJP-VHEBQXMUSA-N
MW269.35 g/mol
LogP4.51
Rot. Bonds4

About 2-[(4-amino-3,5-diethylphenyl)diazenyl]phenol

2-[(4-amino-3,5-diethylphenyl)diazenyl]phenol (PubChem CID 139924710) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[(4-amino-3,5-diethylphenyl)diazenyl]phenol.

Molecular Properties

Compound Name2-[(4-amino-3,5-diethylphenyl)diazenyl]phenol
PubChem CID139924710
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-[(4-amino-3,5-diethylphenyl)diazenyl]phenol
SMILESCCc1cc(/N=N/c2ccccc2O)cc(CC)c1N
InChIInChI=1S/C16H19N3O/c1-3-11-9-13(10-12(4-2)16(11)17)18-19-14-7-5-6-8-15(14)20/h5-10,20H,3-4,17H2,1-2H3/b19-18+
InChIKeyRDPNCPUNAMRFJP-VHEBQXMUSA-N
XLogP4.51
TPSA70.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 54.51
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-[(4-amino-3,5-diethylphenyl)diazenyl]phenol?
The IUPAC name of 2-[(4-amino-3,5-diethylphenyl)diazenyl]phenol (CID 139924710) is 2-[(4-amino-3,5-diethylphenyl)diazenyl]phenol.
What is the SMILES notation for 2-[(4-amino-3,5-diethylphenyl)diazenyl]phenol?
The canonical SMILES for 2-[(4-amino-3,5-diethylphenyl)diazenyl]phenol is CCc1cc(/N=N/c2ccccc2O)cc(CC)c1N.
What is the InChIKey of 2-[(4-amino-3,5-diethylphenyl)diazenyl]phenol?
The InChIKey is RDPNCPUNAMRFJP-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-11-9-13(10-12(4-2)16(11)17)18-19-14-7-5-6-8-15(14)20/h5-10,20H,3-4,17H2,1-2H3/b19-18+.
What are the key properties of 2-[(4-amino-3,5-diethylphenyl)diazenyl]phenol?
2-[(4-amino-3,5-diethylphenyl)diazenyl]phenol has a molecular weight of 269.35 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3,5-diethylphenyl)diazenyl]phenol is sourced from PubChem (CID 139924710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).