4-[(2-ethoxyphenyl)diazenyl]naphthalen-1-amine

C18H17N3O — CID 4649000

IUPAC4-[(2-ethoxyphenyl)diazenyl]naphthalen-1-amine
SMILESCCOc1ccccc1/N=N/c1ccc(N)c2ccccc12
InChIInChI=1S/C18H17N3O/c1-2-22-18-10-6-5-9-17(18)21-20-16-12-11-15(19)13-7-3-4-8-14(13)16/h3-12H,2,19H2,1H3/b21-20+
InChIKeyJALDXWRUEFLKMF-QZQOTICOSA-N
MW291.35 g/mol
LogP5.24
Rot. Bonds4

About 4-[(2-ethoxyphenyl)diazenyl]naphthalen-1-amine

4-[(2-ethoxyphenyl)diazenyl]naphthalen-1-amine (PubChem CID 4649000) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-[(2-ethoxyphenyl)diazenyl]naphthalen-1-amine.

Molecular Properties

Compound Name4-[(2-ethoxyphenyl)diazenyl]naphthalen-1-amine
PubChem CID4649000
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name4-[(2-ethoxyphenyl)diazenyl]naphthalen-1-amine
SMILESCCOc1ccccc1/N=N/c1ccc(N)c2ccccc12
InChIInChI=1S/C18H17N3O/c1-2-22-18-10-6-5-9-17(18)21-20-16-12-11-15(19)13-7-3-4-8-14(13)16/h3-12H,2,19H2,1H3/b21-20+
InChIKeyJALDXWRUEFLKMF-QZQOTICOSA-N
XLogP5.24
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.35
LogP ≤ 55.24
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 4-[(2-ethoxyphenyl)diazenyl]naphthalen-1-amine?
The IUPAC name of 4-[(2-ethoxyphenyl)diazenyl]naphthalen-1-amine (CID 4649000) is 4-[(2-ethoxyphenyl)diazenyl]naphthalen-1-amine.
What is the SMILES notation for 4-[(2-ethoxyphenyl)diazenyl]naphthalen-1-amine?
The canonical SMILES for 4-[(2-ethoxyphenyl)diazenyl]naphthalen-1-amine is CCOc1ccccc1/N=N/c1ccc(N)c2ccccc12.
What is the InChIKey of 4-[(2-ethoxyphenyl)diazenyl]naphthalen-1-amine?
The InChIKey is JALDXWRUEFLKMF-QZQOTICOSA-N. The full InChI is InChI=1S/C18H17N3O/c1-2-22-18-10-6-5-9-17(18)21-20-16-12-11-15(19)13-7-3-4-8-14(13)16/h3-12H,2,19H2,1H3/b21-20+.
What are the key properties of 4-[(2-ethoxyphenyl)diazenyl]naphthalen-1-amine?
4-[(2-ethoxyphenyl)diazenyl]naphthalen-1-amine has a molecular weight of 291.35 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxyphenyl)diazenyl]naphthalen-1-amine is sourced from PubChem (CID 4649000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).