2-dibenzofuran-1-ylaniline

C18H13NO — CID 138698486

IUPAC2-dibenzofuran-1-ylaniline
SMILESNc1ccccc1-c1cccc2oc3ccccc3c12
InChIInChI=1S/C18H13NO/c19-15-9-3-1-6-12(15)13-8-5-11-17-18(13)14-7-2-4-10-16(14)20-17/h1-11H,19H2
InChIKeyJGHAHJGAOGIUQC-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.84
Rot. Bonds1

About 2-dibenzofuran-1-ylaniline

2-dibenzofuran-1-ylaniline (PubChem CID 138698486) has the molecular formula C18H13NO and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-dibenzofuran-1-ylaniline.

Molecular Properties

Compound Name2-dibenzofuran-1-ylaniline
PubChem CID138698486
Molecular FormulaC18H13NO
Molecular Weight259.31 g/mol
Exact Mass259.10
IUPAC Name2-dibenzofuran-1-ylaniline
SMILESNc1ccccc1-c1cccc2oc3ccccc3c12
InChIInChI=1S/C18H13NO/c19-15-9-3-1-6-12(15)13-8-5-11-17-18(13)14-7-2-4-10-16(14)20-17/h1-11H,19H2
InChIKeyJGHAHJGAOGIUQC-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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Related Compounds

1-(3-dibenzofuran-1-ylphenyl)dibenzofuran
CID 170213719
1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran
CID 90265769
8-chloro-1-dibenzofuran-1-yldibenzofuran
CID 174292650
dibenzofuran-1,2-diamine
CID 21425844
1-(4-chlorophenyl)dibenzofuran;4-dibenzofuran-1-ylaniline
CID 167537928
1-(5-naphthalen-1-yl-8-phenylbenzo[10]annulen-12-yl)dibenzofuran
CID 171421142
2-dibenzofuran-4-ylaniline;sulfanylidene-[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
CID 159043639
2-(2-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 118507613
1-(3-bromo-5-dibenzofuran-1-ylphenyl)dibenzofuran
CID 147609065
2-dibenzofuran-1-yl-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 163770145
1-[3,5-bis(3-phenylphenyl)phenyl]dibenzofuran
CID 154618828
2-dibenzofuran-1-yl-1-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 134164781

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-ylaniline?
The IUPAC name of 2-dibenzofuran-1-ylaniline (CID 138698486) is 2-dibenzofuran-1-ylaniline.
What is the SMILES notation for 2-dibenzofuran-1-ylaniline?
The canonical SMILES for 2-dibenzofuran-1-ylaniline is Nc1ccccc1-c1cccc2oc3ccccc3c12.
What is the InChIKey of 2-dibenzofuran-1-ylaniline?
The InChIKey is JGHAHJGAOGIUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO/c19-15-9-3-1-6-12(15)13-8-5-11-17-18(13)14-7-2-4-10-16(14)20-17/h1-11H,19H2.
What are the key properties of 2-dibenzofuran-1-ylaniline?
2-dibenzofuran-1-ylaniline 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 2-dibenzofuran-1-ylaniline is sourced from PubChem (CID 138698486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).