dibenzofuran-3-amine;hydrochloride

C12H10ClNO — CID 11958719

IUPACdibenzofuran-3-amine;hydrochloride
SMILESCl.Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C12H9NO.ClH/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8;/h1-7H,13H2;1H
InChIKeyIVINWYJZLOTUFA-UHFFFAOYSA-N
MW219.67 g/mol
LogP3.59
Rot. Bonds

About dibenzofuran-3-amine;hydrochloride

dibenzofuran-3-amine;hydrochloride (PubChem CID 11958719) has the molecular formula C12H10ClNO and a molecular weight of 219.67 g/mol. Its IUPAC name is dibenzofuran-3-amine;hydrochloride.

Molecular Properties

Compound Namedibenzofuran-3-amine;hydrochloride
PubChem CID11958719
Molecular FormulaC12H10ClNO
Molecular Weight219.67 g/mol
Exact Mass219.05
IUPAC Namedibenzofuran-3-amine;hydrochloride
SMILESCl.Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C12H9NO.ClH/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8;/h1-7H,13H2;1H
InChIKeyIVINWYJZLOTUFA-UHFFFAOYSA-N
XLogP3.59
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 53.59
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 dibenzofuran-3-amine;hydrochloride?
The IUPAC name of dibenzofuran-3-amine;hydrochloride (CID 11958719) is dibenzofuran-3-amine;hydrochloride.
What is the SMILES notation for dibenzofuran-3-amine;hydrochloride?
The canonical SMILES for dibenzofuran-3-amine;hydrochloride is Cl.Nc1ccc2c(c1)oc1ccccc12.
What is the InChIKey of dibenzofuran-3-amine;hydrochloride?
The InChIKey is IVINWYJZLOTUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO.ClH/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8;/h1-7H,13H2;1H.
What are the key properties of dibenzofuran-3-amine;hydrochloride?
dibenzofuran-3-amine;hydrochloride has a molecular weight of 219.67 g/mol, XLogP of 3.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-3-amine;hydrochloride is sourced from PubChem (CID 11958719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).