2-methoxy-4-phenyldiazenylnaphthalen-1-amine

C17H15N3O — CID 23338736

IUPAC2-methoxy-4-phenyldiazenylnaphthalen-1-amine
SMILESCOc1cc(/N=N/c2ccccc2)c2ccccc2c1N
InChIInChI=1S/C17H15N3O/c1-21-16-11-15(20-19-12-7-3-2-4-8-12)13-9-5-6-10-14(13)17(16)18/h2-11H,18H2,1H3/b20-19+
InChIKeyXXTAIJPQMYLSEU-FMQUCBEESA-N
MW277.33 g/mol
LogP4.85
Rot. Bonds3

About 2-methoxy-4-phenyldiazenylnaphthalen-1-amine

2-methoxy-4-phenyldiazenylnaphthalen-1-amine (PubChem CID 23338736) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-methoxy-4-phenyldiazenylnaphthalen-1-amine.

Molecular Properties

Compound Name2-methoxy-4-phenyldiazenylnaphthalen-1-amine
PubChem CID23338736
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-methoxy-4-phenyldiazenylnaphthalen-1-amine
SMILESCOc1cc(/N=N/c2ccccc2)c2ccccc2c1N
InChIInChI=1S/C17H15N3O/c1-21-16-11-15(20-19-12-7-3-2-4-8-12)13-9-5-6-10-14(13)17(16)18/h2-11H,18H2,1H3/b20-19+
InChIKeyXXTAIJPQMYLSEU-FMQUCBEESA-N
XLogP4.85
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 54.85
H-Bond Donors ≤ 51
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-methoxy-4-phenyldiazenylnaphthalen-1-amine?
The IUPAC name of 2-methoxy-4-phenyldiazenylnaphthalen-1-amine (CID 23338736) is 2-methoxy-4-phenyldiazenylnaphthalen-1-amine.
What is the SMILES notation for 2-methoxy-4-phenyldiazenylnaphthalen-1-amine?
The canonical SMILES for 2-methoxy-4-phenyldiazenylnaphthalen-1-amine is COc1cc(/N=N/c2ccccc2)c2ccccc2c1N.
What is the InChIKey of 2-methoxy-4-phenyldiazenylnaphthalen-1-amine?
The InChIKey is XXTAIJPQMYLSEU-FMQUCBEESA-N. The full InChI is InChI=1S/C17H15N3O/c1-21-16-11-15(20-19-12-7-3-2-4-8-12)13-9-5-6-10-14(13)17(16)18/h2-11H,18H2,1H3/b20-19+.
What are the key properties of 2-methoxy-4-phenyldiazenylnaphthalen-1-amine?
2-methoxy-4-phenyldiazenylnaphthalen-1-amine has a molecular weight of 277.33 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-phenyldiazenylnaphthalen-1-amine is sourced from PubChem (CID 23338736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).