6,7,8,9-tetrahydrodibenzofuran-4-amine;hydrochloride

C12H14ClNO — CID 23724372

IUPAC6,7,8,9-tetrahydrodibenzofuran-4-amine;hydrochloride
SMILESCl.Nc1cccc2c3c(oc12)CCCC3
InChIInChI=1S/C12H13NO.ClH/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10;/h3,5-6H,1-2,4,7,13H2;1H
InChIKeyKZFHXJPWUVWYJU-UHFFFAOYSA-N
MW223.70 g/mol
LogP3.32
Rot. Bonds

About 6,7,8,9-tetrahydrodibenzofuran-4-amine;hydrochloride

6,7,8,9-tetrahydrodibenzofuran-4-amine;hydrochloride (PubChem CID 23724372) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 6,7,8,9-tetrahydrodibenzofuran-4-amine;hydrochloride.

Molecular Properties

Compound Name6,7,8,9-tetrahydrodibenzofuran-4-amine;hydrochloride
PubChem CID23724372
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name6,7,8,9-tetrahydrodibenzofuran-4-amine;hydrochloride
SMILESCl.Nc1cccc2c3c(oc12)CCCC3
InChIInChI=1S/C12H13NO.ClH/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10;/h3,5-6H,1-2,4,7,13H2;1H
InChIKeyKZFHXJPWUVWYJU-UHFFFAOYSA-N
XLogP3.32
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 53.32
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 6,7,8,9-tetrahydrodibenzofuran-4-amine;hydrochloride?
The IUPAC name of 6,7,8,9-tetrahydrodibenzofuran-4-amine;hydrochloride (CID 23724372) is 6,7,8,9-tetrahydrodibenzofuran-4-amine;hydrochloride.
What is the SMILES notation for 6,7,8,9-tetrahydrodibenzofuran-4-amine;hydrochloride?
The canonical SMILES for 6,7,8,9-tetrahydrodibenzofuran-4-amine;hydrochloride is Cl.Nc1cccc2c3c(oc12)CCCC3.
What is the InChIKey of 6,7,8,9-tetrahydrodibenzofuran-4-amine;hydrochloride?
The InChIKey is KZFHXJPWUVWYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO.ClH/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10;/h3,5-6H,1-2,4,7,13H2;1H.
What are the key properties of 6,7,8,9-tetrahydrodibenzofuran-4-amine;hydrochloride?
6,7,8,9-tetrahydrodibenzofuran-4-amine;hydrochloride has a molecular weight of 223.70 g/mol, XLogP of 3.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydrodibenzofuran-4-amine;hydrochloride is sourced from PubChem (CID 23724372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).