1-(1-benzofuran-3-yl)naphthalen-2-amine

C18H13NO — CID 134369746

IUPAC1-(1-benzofuran-3-yl)naphthalen-2-amine
SMILESNc1ccc2ccccc2c1-c1coc2ccccc12
InChIInChI=1S/C18H13NO/c19-16-10-9-12-5-1-2-6-13(12)18(16)15-11-20-17-8-4-3-7-14(15)17/h1-11H,19H2
InChIKeyVSILHUSECAUDPZ-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.84
Rot. Bonds1

About 1-(1-benzofuran-3-yl)naphthalen-2-amine

1-(1-benzofuran-3-yl)naphthalen-2-amine (PubChem CID 134369746) has the molecular formula C18H13NO and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)naphthalen-2-amine.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)naphthalen-2-amine
PubChem CID134369746
Molecular FormulaC18H13NO
Molecular Weight259.31 g/mol
Exact Mass259.10
IUPAC Name1-(1-benzofuran-3-yl)naphthalen-2-amine
SMILESNc1ccc2ccccc2c1-c1coc2ccccc12
InChIInChI=1S/C18H13NO/c19-16-10-9-12-5-1-2-6-13(12)18(16)15-11-20-17-8-4-3-7-14(15)17/h1-11H,19H2
InChIKeyVSILHUSECAUDPZ-UHFFFAOYSA-N
XLogP4.84
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 54.84
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 1-(1-benzofuran-3-yl)naphthalen-2-amine?
The IUPAC name of 1-(1-benzofuran-3-yl)naphthalen-2-amine (CID 134369746) is 1-(1-benzofuran-3-yl)naphthalen-2-amine.
What is the SMILES notation for 1-(1-benzofuran-3-yl)naphthalen-2-amine?
The canonical SMILES for 1-(1-benzofuran-3-yl)naphthalen-2-amine is Nc1ccc2ccccc2c1-c1coc2ccccc12.
What is the InChIKey of 1-(1-benzofuran-3-yl)naphthalen-2-amine?
The InChIKey is VSILHUSECAUDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO/c19-16-10-9-12-5-1-2-6-13(12)18(16)15-11-20-17-8-4-3-7-14(15)17/h1-11H,19H2.
What are the key properties of 1-(1-benzofuran-3-yl)naphthalen-2-amine?
1-(1-benzofuran-3-yl)naphthalen-2-amine has a molecular weight of 259.31 g/mol, XLogP of 4.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)naphthalen-2-amine is sourced from PubChem (CID 134369746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).