4-(6-methoxynaphthalen-2-yl)aniline

C17H15NO — CID 26597815

IUPAC4-(6-methoxynaphthalen-2-yl)aniline
SMILESCOc1ccc2cc(-c3ccc(N)cc3)ccc2c1
InChIInChI=1S/C17H15NO/c1-19-17-9-6-14-10-13(2-3-15(14)11-17)12-4-7-16(18)8-5-12/h2-11H,18H2,1H3
InChIKeyVQWGXSRIAFDIBE-UHFFFAOYSA-N
MW249.31 g/mol
LogP4.10
Rot. Bonds2

About 4-(6-methoxynaphthalen-2-yl)aniline

4-(6-methoxynaphthalen-2-yl)aniline (PubChem CID 26597815) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-(6-methoxynaphthalen-2-yl)aniline.

Molecular Properties

Compound Name4-(6-methoxynaphthalen-2-yl)aniline
PubChem CID26597815
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name4-(6-methoxynaphthalen-2-yl)aniline
SMILESCOc1ccc2cc(-c3ccc(N)cc3)ccc2c1
InChIInChI=1S/C17H15NO/c1-19-17-9-6-14-10-13(2-3-15(14)11-17)12-4-7-16(18)8-5-12/h2-11H,18H2,1H3
InChIKeyVQWGXSRIAFDIBE-UHFFFAOYSA-N
XLogP4.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 54.10
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 4-(6-methoxynaphthalen-2-yl)aniline?
The IUPAC name of 4-(6-methoxynaphthalen-2-yl)aniline (CID 26597815) is 4-(6-methoxynaphthalen-2-yl)aniline.
What is the SMILES notation for 4-(6-methoxynaphthalen-2-yl)aniline?
The canonical SMILES for 4-(6-methoxynaphthalen-2-yl)aniline is COc1ccc2cc(-c3ccc(N)cc3)ccc2c1.
What is the InChIKey of 4-(6-methoxynaphthalen-2-yl)aniline?
The InChIKey is VQWGXSRIAFDIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c1-19-17-9-6-14-10-13(2-3-15(14)11-17)12-4-7-16(18)8-5-12/h2-11H,18H2,1H3.
What are the key properties of 4-(6-methoxynaphthalen-2-yl)aniline?
4-(6-methoxynaphthalen-2-yl)aniline has a molecular weight of 249.31 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxynaphthalen-2-yl)aniline is sourced from PubChem (CID 26597815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).