5-chloro-2,3-dihydro-1-benzofuran-7-amine;hydrochloride

C8H9Cl2NO — CID 75422284

IUPAC5-chloro-2,3-dihydro-1-benzofuran-7-amine;hydrochloride
SMILESCl.Nc1cc(Cl)cc2c1OCC2
InChIInChI=1S/C8H8ClNO.ClH/c9-6-3-5-1-2-11-8(5)7(10)4-6;/h3-4H,1-2,10H2;1H
InChIKeyMGASVJLDSKNCDO-UHFFFAOYSA-N
MW206.07 g/mol
LogP2.28
Rot. Bonds

About 5-chloro-2,3-dihydro-1-benzofuran-7-amine;hydrochloride

5-chloro-2,3-dihydro-1-benzofuran-7-amine;hydrochloride (PubChem CID 75422284) has the molecular formula C8H9Cl2NO and a molecular weight of 206.07 g/mol. Its IUPAC name is 5-chloro-2,3-dihydro-1-benzofuran-7-amine;hydrochloride.

Molecular Properties

Compound Name5-chloro-2,3-dihydro-1-benzofuran-7-amine;hydrochloride
PubChem CID75422284
Molecular FormulaC8H9Cl2NO
Molecular Weight206.07 g/mol
Exact Mass205.01
IUPAC Name5-chloro-2,3-dihydro-1-benzofuran-7-amine;hydrochloride
SMILESCl.Nc1cc(Cl)cc2c1OCC2
InChIInChI=1S/C8H8ClNO.ClH/c9-6-3-5-1-2-11-8(5)7(10)4-6;/h3-4H,1-2,10H2;1H
InChIKeyMGASVJLDSKNCDO-UHFFFAOYSA-N
XLogP2.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.07
LogP ≤ 52.28
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 5-chloro-2,3-dihydro-1-benzofuran-7-amine;hydrochloride?
The IUPAC name of 5-chloro-2,3-dihydro-1-benzofuran-7-amine;hydrochloride (CID 75422284) is 5-chloro-2,3-dihydro-1-benzofuran-7-amine;hydrochloride.
What is the SMILES notation for 5-chloro-2,3-dihydro-1-benzofuran-7-amine;hydrochloride?
The canonical SMILES for 5-chloro-2,3-dihydro-1-benzofuran-7-amine;hydrochloride is Cl.Nc1cc(Cl)cc2c1OCC2.
What is the InChIKey of 5-chloro-2,3-dihydro-1-benzofuran-7-amine;hydrochloride?
The InChIKey is MGASVJLDSKNCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO.ClH/c9-6-3-5-1-2-11-8(5)7(10)4-6;/h3-4H,1-2,10H2;1H.
What are the key properties of 5-chloro-2,3-dihydro-1-benzofuran-7-amine;hydrochloride?
5-chloro-2,3-dihydro-1-benzofuran-7-amine;hydrochloride has a molecular weight of 206.07 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,3-dihydro-1-benzofuran-7-amine;hydrochloride is sourced from PubChem (CID 75422284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).