8-chlorodibenzofuran-2-amine

C12H8ClNO — CID 22664184

IUPAC8-chlorodibenzofuran-2-amine
SMILESNc1ccc2oc3ccc(Cl)cc3c2c1
InChIInChI=1S/C12H8ClNO/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6H,14H2
InChIKeyXSGDEWICNOERFF-UHFFFAOYSA-N
MW217.66 g/mol
LogP3.82
Rot. Bonds

About 8-chlorodibenzofuran-2-amine

8-chlorodibenzofuran-2-amine (PubChem CID 22664184) has the molecular formula C12H8ClNO and a molecular weight of 217.66 g/mol. Its IUPAC name is 8-chlorodibenzofuran-2-amine.

Molecular Properties

Compound Name8-chlorodibenzofuran-2-amine
PubChem CID22664184
Molecular FormulaC12H8ClNO
Molecular Weight217.66 g/mol
Exact Mass217.03
IUPAC Name8-chlorodibenzofuran-2-amine
SMILESNc1ccc2oc3ccc(Cl)cc3c2c1
InChIInChI=1S/C12H8ClNO/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6H,14H2
InChIKeyXSGDEWICNOERFF-UHFFFAOYSA-N
XLogP3.82
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 53.82
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 8-chlorodibenzofuran-2-amine?
The IUPAC name of 8-chlorodibenzofuran-2-amine (CID 22664184) is 8-chlorodibenzofuran-2-amine.
What is the SMILES notation for 8-chlorodibenzofuran-2-amine?
The canonical SMILES for 8-chlorodibenzofuran-2-amine is Nc1ccc2oc3ccc(Cl)cc3c2c1.
What is the InChIKey of 8-chlorodibenzofuran-2-amine?
The InChIKey is XSGDEWICNOERFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6H,14H2.
What are the key properties of 8-chlorodibenzofuran-2-amine?
8-chlorodibenzofuran-2-amine has a molecular weight of 217.66 g/mol, XLogP of 3.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chlorodibenzofuran-2-amine is sourced from PubChem (CID 22664184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).