1-[[4-(diethylamino)phenyl]diazenyl]naphthalen-2-ol

C20H21N3O — CID 3766987

IUPAC1-[[4-(diethylamino)phenyl]diazenyl]naphthalen-2-ol
SMILESCCN(CC)c1ccc(/N=N/c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C20H21N3O/c1-3-23(4-2)17-12-10-16(11-13-17)21-22-20-18-8-6-5-7-15(18)9-14-19(20)24/h5-14,24H,3-4H2,1-2H3/b22-21+
InChIKeyPIJBAGBDXWEEAX-QURGRASLSA-N
MW319.41 g/mol
LogP5.81
Rot. Bonds5

About 1-[[4-(diethylamino)phenyl]diazenyl]naphthalen-2-ol

1-[[4-(diethylamino)phenyl]diazenyl]naphthalen-2-ol (PubChem CID 3766987) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-[[4-(diethylamino)phenyl]diazenyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[4-(diethylamino)phenyl]diazenyl]naphthalen-2-ol
PubChem CID3766987
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name1-[[4-(diethylamino)phenyl]diazenyl]naphthalen-2-ol
SMILESCCN(CC)c1ccc(/N=N/c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C20H21N3O/c1-3-23(4-2)17-12-10-16(11-13-17)21-22-20-18-8-6-5-7-15(18)9-14-19(20)24/h5-14,24H,3-4H2,1-2H3/b22-21+
InChIKeyPIJBAGBDXWEEAX-QURGRASLSA-N
XLogP5.81
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.41
LogP ≤ 55.81
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(diethylamino)phenyl]diazenyl]naphthalen-2-ol?
The IUPAC name of 1-[[4-(diethylamino)phenyl]diazenyl]naphthalen-2-ol (CID 3766987) is 1-[[4-(diethylamino)phenyl]diazenyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[4-(diethylamino)phenyl]diazenyl]naphthalen-2-ol?
The canonical SMILES for 1-[[4-(diethylamino)phenyl]diazenyl]naphthalen-2-ol is CCN(CC)c1ccc(/N=N/c2c(O)ccc3ccccc23)cc1.
What is the InChIKey of 1-[[4-(diethylamino)phenyl]diazenyl]naphthalen-2-ol?
The InChIKey is PIJBAGBDXWEEAX-QURGRASLSA-N. The full InChI is InChI=1S/C20H21N3O/c1-3-23(4-2)17-12-10-16(11-13-17)21-22-20-18-8-6-5-7-15(18)9-14-19(20)24/h5-14,24H,3-4H2,1-2H3/b22-21+.
What are the key properties of 1-[[4-(diethylamino)phenyl]diazenyl]naphthalen-2-ol?
1-[[4-(diethylamino)phenyl]diazenyl]naphthalen-2-ol has a molecular weight of 319.41 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(diethylamino)phenyl]diazenyl]naphthalen-2-ol is sourced from PubChem (CID 3766987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).