4-naphthalen-1-yloxyaniline

C16H13NO — CID 819583

IUPAC4-naphthalen-1-yloxyaniline
SMILESNc1ccc(Oc2cccc3ccccc23)cc1
InChIInChI=1S/C16H13NO/c17-13-8-10-14(11-9-13)18-16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,17H2
InChIKeyPYGYJLHOEOYGIA-UHFFFAOYSA-N
MW235.29 g/mol
LogP4.21
Rot. Bonds2

About 4-naphthalen-1-yloxyaniline

4-naphthalen-1-yloxyaniline (PubChem CID 819583) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-naphthalen-1-yloxyaniline.

Molecular Properties

Compound Name4-naphthalen-1-yloxyaniline
PubChem CID819583
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name4-naphthalen-1-yloxyaniline
SMILESNc1ccc(Oc2cccc3ccccc23)cc1
InChIInChI=1S/C16H13NO/c17-13-8-10-14(11-9-13)18-16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,17H2
InChIKeyPYGYJLHOEOYGIA-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': 'anil_OC_no_alk_B(4)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yloxyaniline?
The IUPAC name of 4-naphthalen-1-yloxyaniline (CID 819583) is 4-naphthalen-1-yloxyaniline.
What is the SMILES notation for 4-naphthalen-1-yloxyaniline?
The canonical SMILES for 4-naphthalen-1-yloxyaniline is Nc1ccc(Oc2cccc3ccccc23)cc1.
What is the InChIKey of 4-naphthalen-1-yloxyaniline?
The InChIKey is PYGYJLHOEOYGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c17-13-8-10-14(11-9-13)18-16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,17H2.
What are the key properties of 4-naphthalen-1-yloxyaniline?
4-naphthalen-1-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-1-yloxyaniline is sourced from PubChem (CID 819583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).