2-naphthalen-1-yloxyaniline

C16H13NO — CID 2735389

IUPAC2-naphthalen-1-yloxyaniline
SMILESNc1ccccc1Oc1cccc2ccccc12
InChIInChI=1S/C16H13NO/c17-14-9-3-4-10-16(14)18-15-11-5-7-12-6-1-2-8-13(12)15/h1-11H,17H2
InChIKeyXGFJMWKZGVEFBI-UHFFFAOYSA-N
MW235.29 g/mol
LogP4.21
Rot. Bonds2

About 2-naphthalen-1-yloxyaniline

2-naphthalen-1-yloxyaniline (PubChem CID 2735389) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-naphthalen-1-yloxyaniline.

Molecular Properties

Compound Name2-naphthalen-1-yloxyaniline
PubChem CID2735389
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name2-naphthalen-1-yloxyaniline
SMILESNc1ccccc1Oc1cccc2ccccc12
InChIInChI=1S/C16H13NO/c17-14-9-3-4-10-16(14)18-15-11-5-7-12-6-1-2-8-13(12)15/h1-11H,17H2
InChIKeyXGFJMWKZGVEFBI-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': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yloxyaniline?
The IUPAC name of 2-naphthalen-1-yloxyaniline (CID 2735389) is 2-naphthalen-1-yloxyaniline.
What is the SMILES notation for 2-naphthalen-1-yloxyaniline?
The canonical SMILES for 2-naphthalen-1-yloxyaniline is Nc1ccccc1Oc1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-yloxyaniline?
The InChIKey is XGFJMWKZGVEFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c17-14-9-3-4-10-16(14)18-15-11-5-7-12-6-1-2-8-13(12)15/h1-11H,17H2.
What are the key properties of 2-naphthalen-1-yloxyaniline?
2-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 2-naphthalen-1-yloxyaniline is sourced from PubChem (CID 2735389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).