(N-ethyl-4-phenyldiazenylanilino)methanol

C15H17N3O — CID 59882366

IUPAC(N-ethyl-4-phenyldiazenylanilino)methanol
SMILESCCN(CO)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C15H17N3O/c1-2-18(12-19)15-10-8-14(9-11-15)17-16-13-6-4-3-5-7-13/h3-11,19H,2,12H2,1H3/b17-16+
InChIKeySSDRFRUWXRGTBO-WUKNDPDISA-N
MW255.32 g/mol
LogP3.88
Rot. Bonds5

About (N-ethyl-4-phenyldiazenylanilino)methanol

(N-ethyl-4-phenyldiazenylanilino)methanol (PubChem CID 59882366) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is (N-ethyl-4-phenyldiazenylanilino)methanol.

Molecular Properties

Compound Name(N-ethyl-4-phenyldiazenylanilino)methanol
PubChem CID59882366
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name(N-ethyl-4-phenyldiazenylanilino)methanol
SMILESCCN(CO)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C15H17N3O/c1-2-18(12-19)15-10-8-14(9-11-15)17-16-13-6-4-3-5-7-13/h3-11,19H,2,12H2,1H3/b17-16+
InChIKeySSDRFRUWXRGTBO-WUKNDPDISA-N
XLogP3.88
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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 (N-ethyl-4-phenyldiazenylanilino)methanol?
The IUPAC name of (N-ethyl-4-phenyldiazenylanilino)methanol (CID 59882366) is (N-ethyl-4-phenyldiazenylanilino)methanol.
What is the SMILES notation for (N-ethyl-4-phenyldiazenylanilino)methanol?
The canonical SMILES for (N-ethyl-4-phenyldiazenylanilino)methanol is CCN(CO)c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of (N-ethyl-4-phenyldiazenylanilino)methanol?
The InChIKey is SSDRFRUWXRGTBO-WUKNDPDISA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-18(12-19)15-10-8-14(9-11-15)17-16-13-6-4-3-5-7-13/h3-11,19H,2,12H2,1H3/b17-16+.
What are the key properties of (N-ethyl-4-phenyldiazenylanilino)methanol?
(N-ethyl-4-phenyldiazenylanilino)methanol has a molecular weight of 255.32 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (N-ethyl-4-phenyldiazenylanilino)methanol is sourced from PubChem (CID 59882366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).