1-(N-ethyl-4-phenyldiazenylanilino)ethanol

C16H19N3O — CID 23460666

IUPAC1-(N-ethyl-4-phenyldiazenylanilino)ethanol
SMILESCCN(c1ccc(/N=N/c2ccccc2)cc1)C(C)O
InChIInChI=1S/C16H19N3O/c1-3-19(13(2)20)16-11-9-15(10-12-16)18-17-14-7-5-4-6-8-14/h4-13,20H,3H2,1-2H3/b18-17+
InChIKeyGLRDDVUBIIMNOW-ISLYRVAYSA-N
MW269.35 g/mol
LogP4.27
Rot. Bonds5

About 1-(N-ethyl-4-phenyldiazenylanilino)ethanol

1-(N-ethyl-4-phenyldiazenylanilino)ethanol (PubChem CID 23460666) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-(N-ethyl-4-phenyldiazenylanilino)ethanol.

Molecular Properties

Compound Name1-(N-ethyl-4-phenyldiazenylanilino)ethanol
PubChem CID23460666
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-(N-ethyl-4-phenyldiazenylanilino)ethanol
SMILESCCN(c1ccc(/N=N/c2ccccc2)cc1)C(C)O
InChIInChI=1S/C16H19N3O/c1-3-19(13(2)20)16-11-9-15(10-12-16)18-17-14-7-5-4-6-8-14/h4-13,20H,3H2,1-2H3/b18-17+
InChIKeyGLRDDVUBIIMNOW-ISLYRVAYSA-N
XLogP4.27
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(N-ethyl-4-phenyldiazenylanilino)ethanol?
The IUPAC name of 1-(N-ethyl-4-phenyldiazenylanilino)ethanol (CID 23460666) is 1-(N-ethyl-4-phenyldiazenylanilino)ethanol.
What is the SMILES notation for 1-(N-ethyl-4-phenyldiazenylanilino)ethanol?
The canonical SMILES for 1-(N-ethyl-4-phenyldiazenylanilino)ethanol is CCN(c1ccc(/N=N/c2ccccc2)cc1)C(C)O.
What is the InChIKey of 1-(N-ethyl-4-phenyldiazenylanilino)ethanol?
The InChIKey is GLRDDVUBIIMNOW-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-19(13(2)20)16-11-9-15(10-12-16)18-17-14-7-5-4-6-8-14/h4-13,20H,3H2,1-2H3/b18-17+.
What are the key properties of 1-(N-ethyl-4-phenyldiazenylanilino)ethanol?
1-(N-ethyl-4-phenyldiazenylanilino)ethanol has a molecular weight of 269.35 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-ethyl-4-phenyldiazenylanilino)ethanol is sourced from PubChem (CID 23460666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).