4-naphthalen-2-yloxyaniline

C16H13NO — CID 3580829

IUPAC4-naphthalen-2-yloxyaniline
SMILESNc1ccc(Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C16H13NO/c17-14-6-9-15(10-7-14)18-16-8-5-12-3-1-2-4-13(12)11-16/h1-11H,17H2
InChIKeyFLSZEMCAUKGBBK-UHFFFAOYSA-N
MW235.29 g/mol
LogP4.21
Rot. Bonds2

About 4-naphthalen-2-yloxyaniline

4-naphthalen-2-yloxyaniline (PubChem CID 3580829) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-naphthalen-2-yloxyaniline.

Molecular Properties

Compound Name4-naphthalen-2-yloxyaniline
PubChem CID3580829
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name4-naphthalen-2-yloxyaniline
SMILESNc1ccc(Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C16H13NO/c17-14-6-9-15(10-7-14)18-16-8-5-12-3-1-2-4-13(12)11-16/h1-11H,17H2
InChIKeyFLSZEMCAUKGBBK-UHFFFAOYSA-N
XLogP4.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yloxyaniline?
The IUPAC name of 4-naphthalen-2-yloxyaniline (CID 3580829) is 4-naphthalen-2-yloxyaniline.
What is the SMILES notation for 4-naphthalen-2-yloxyaniline?
The canonical SMILES for 4-naphthalen-2-yloxyaniline is Nc1ccc(Oc2ccc3ccccc3c2)cc1.
What is the InChIKey of 4-naphthalen-2-yloxyaniline?
The InChIKey is FLSZEMCAUKGBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c17-14-6-9-15(10-7-14)18-16-8-5-12-3-1-2-4-13(12)11-16/h1-11H,17H2.
What are the key properties of 4-naphthalen-2-yloxyaniline?
4-naphthalen-2-yloxyaniline has a molecular weight of 235.29 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yloxyaniline is sourced from PubChem (CID 3580829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).