6-bromo-2,3-dihydro-1-benzofuran-3-amine;hydrochloride

C8H9BrClNO — CID 44630737

IUPAC6-bromo-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
SMILESCl.NC1COc2cc(Br)ccc21
InChIInChI=1S/C8H8BrNO.ClH/c9-5-1-2-6-7(10)4-11-8(6)3-5;/h1-3,7H,4,10H2;1H
InChIKeyBTTOLFCXRXFGKD-UHFFFAOYSA-N
MW250.52 g/mol
LogP2.26
Rot. Bonds

About 6-bromo-2,3-dihydro-1-benzofuran-3-amine;hydrochloride

6-bromo-2,3-dihydro-1-benzofuran-3-amine;hydrochloride (PubChem CID 44630737) has the molecular formula C8H9BrClNO and a molecular weight of 250.52 g/mol. Its IUPAC name is 6-bromo-2,3-dihydro-1-benzofuran-3-amine;hydrochloride.

Molecular Properties

Compound Name6-bromo-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
PubChem CID44630737
Molecular FormulaC8H9BrClNO
Molecular Weight250.52 g/mol
Exact Mass248.96
IUPAC Name6-bromo-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
SMILESCl.NC1COc2cc(Br)ccc21
InChIInChI=1S/C8H8BrNO.ClH/c9-5-1-2-6-7(10)4-11-8(6)3-5;/h1-3,7H,4,10H2;1H
InChIKeyBTTOLFCXRXFGKD-UHFFFAOYSA-N
XLogP2.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.52
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
The IUPAC name of 6-bromo-2,3-dihydro-1-benzofuran-3-amine;hydrochloride (CID 44630737) is 6-bromo-2,3-dihydro-1-benzofuran-3-amine;hydrochloride.
What is the SMILES notation for 6-bromo-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
The canonical SMILES for 6-bromo-2,3-dihydro-1-benzofuran-3-amine;hydrochloride is Cl.NC1COc2cc(Br)ccc21.
What is the InChIKey of 6-bromo-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
The InChIKey is BTTOLFCXRXFGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO.ClH/c9-5-1-2-6-7(10)4-11-8(6)3-5;/h1-3,7H,4,10H2;1H.
What are the key properties of 6-bromo-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
6-bromo-2,3-dihydro-1-benzofuran-3-amine;hydrochloride has a molecular weight of 250.52 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,3-dihydro-1-benzofuran-3-amine;hydrochloride is sourced from PubChem (CID 44630737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).