1-chlorodibenzofuran-2-amine

C12H8ClNO — CID 14896033

IUPAC1-chlorodibenzofuran-2-amine
SMILESNc1ccc2oc3ccccc3c2c1Cl
InChIInChI=1S/C12H8ClNO/c13-12-8(14)5-6-10-11(12)7-3-1-2-4-9(7)15-10/h1-6H,14H2
InChIKeyWPFUNSNPGFZYEX-UHFFFAOYSA-N
MW217.66 g/mol
LogP3.82
Rot. Bonds

About 1-chlorodibenzofuran-2-amine

1-chlorodibenzofuran-2-amine (PubChem CID 14896033) has the molecular formula C12H8ClNO and a molecular weight of 217.66 g/mol. Its IUPAC name is 1-chlorodibenzofuran-2-amine.

Molecular Properties

Compound Name1-chlorodibenzofuran-2-amine
PubChem CID14896033
Molecular FormulaC12H8ClNO
Molecular Weight217.66 g/mol
Exact Mass217.03
IUPAC Name1-chlorodibenzofuran-2-amine
SMILESNc1ccc2oc3ccccc3c2c1Cl
InChIInChI=1S/C12H8ClNO/c13-12-8(14)5-6-10-11(12)7-3-1-2-4-9(7)15-10/h1-6H,14H2
InChIKeyWPFUNSNPGFZYEX-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 1-chlorodibenzofuran-2-amine?
The IUPAC name of 1-chlorodibenzofuran-2-amine (CID 14896033) is 1-chlorodibenzofuran-2-amine.
What is the SMILES notation for 1-chlorodibenzofuran-2-amine?
The canonical SMILES for 1-chlorodibenzofuran-2-amine is Nc1ccc2oc3ccccc3c2c1Cl.
What is the InChIKey of 1-chlorodibenzofuran-2-amine?
The InChIKey is WPFUNSNPGFZYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO/c13-12-8(14)5-6-10-11(12)7-3-1-2-4-9(7)15-10/h1-6H,14H2.
What are the key properties of 1-chlorodibenzofuran-2-amine?
1-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 1-chlorodibenzofuran-2-amine is sourced from PubChem (CID 14896033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).