1-phenyldiazenylnaphthalen-2-amine

C16H13N3 — CID 6824

IUPAC1-phenyldiazenylnaphthalen-2-amine
SMILESNc1ccc2ccccc2c1/N=N/c1ccccc1
InChIInChI=1S/C16H13N3/c17-15-11-10-12-6-4-5-9-14(12)16(15)19-18-13-7-2-1-3-8-13/h1-11H,17H2/b19-18+
InChIKeyKLCDQSGLLRINHY-VHEBQXMUSA-N
MW247.30 g/mol
LogP4.84
Rot. Bonds2

About 1-phenyldiazenylnaphthalen-2-amine

1-phenyldiazenylnaphthalen-2-amine (PubChem CID 6824) has the molecular formula C16H13N3 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-phenyldiazenylnaphthalen-2-amine.

Molecular Properties

Compound Name1-phenyldiazenylnaphthalen-2-amine
PubChem CID6824
Molecular FormulaC16H13N3
Molecular Weight247.30 g/mol
Exact Mass247.11
IUPAC Name1-phenyldiazenylnaphthalen-2-amine
SMILESNc1ccc2ccccc2c1/N=N/c1ccccc1
InChIInChI=1S/C16H13N3/c17-15-11-10-12-6-4-5-9-14(12)16(15)19-18-13-7-2-1-3-8-13/h1-11H,17H2/b19-18+
InChIKeyKLCDQSGLLRINHY-VHEBQXMUSA-N
XLogP4.84
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 54.84
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 1-phenyldiazenylnaphthalen-2-amine?
The IUPAC name of 1-phenyldiazenylnaphthalen-2-amine (CID 6824) is 1-phenyldiazenylnaphthalen-2-amine.
What is the SMILES notation for 1-phenyldiazenylnaphthalen-2-amine?
The canonical SMILES for 1-phenyldiazenylnaphthalen-2-amine is Nc1ccc2ccccc2c1/N=N/c1ccccc1.
What is the InChIKey of 1-phenyldiazenylnaphthalen-2-amine?
The InChIKey is KLCDQSGLLRINHY-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H13N3/c17-15-11-10-12-6-4-5-9-14(12)16(15)19-18-13-7-2-1-3-8-13/h1-11H,17H2/b19-18+.
What are the key properties of 1-phenyldiazenylnaphthalen-2-amine?
1-phenyldiazenylnaphthalen-2-amine has a molecular weight of 247.30 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyldiazenylnaphthalen-2-amine is sourced from PubChem (CID 6824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).