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

C8H8BrNO — CID 44630690

IUPAC6-bromo-2,3-dihydro-1-benzofuran-3-amine
SMILESNC1COc2cc(Br)ccc21
InChIInChI=1S/C8H8BrNO/c9-5-1-2-6-7(10)4-11-8(6)3-5/h1-3,7H,4,10H2
InChIKeyVXHJNJHULJJTSD-UHFFFAOYSA-N
MW214.06 g/mol
LogP1.84
Rot. Bonds

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

6-bromo-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 44630690) has the molecular formula C8H8BrNO and a molecular weight of 214.06 g/mol. Its IUPAC name is 6-bromo-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name6-bromo-2,3-dihydro-1-benzofuran-3-amine
PubChem CID44630690
Molecular FormulaC8H8BrNO
Molecular Weight214.06 g/mol
Exact Mass212.98
IUPAC Name6-bromo-2,3-dihydro-1-benzofuran-3-amine
SMILESNC1COc2cc(Br)ccc21
InChIInChI=1S/C8H8BrNO/c9-5-1-2-6-7(10)4-11-8(6)3-5/h1-3,7H,4,10H2
InChIKeyVXHJNJHULJJTSD-UHFFFAOYSA-N
XLogP1.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.06
LogP ≤ 51.84
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?
The IUPAC name of 6-bromo-2,3-dihydro-1-benzofuran-3-amine (CID 44630690) is 6-bromo-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 6-bromo-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 6-bromo-2,3-dihydro-1-benzofuran-3-amine is NC1COc2cc(Br)ccc21.
What is the InChIKey of 6-bromo-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is VXHJNJHULJJTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO/c9-5-1-2-6-7(10)4-11-8(6)3-5/h1-3,7H,4,10H2.
What are the key properties of 6-bromo-2,3-dihydro-1-benzofuran-3-amine?
6-bromo-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 214.06 g/mol, XLogP of 1.84, 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 is sourced from PubChem (CID 44630690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).