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

C9H10BrNO — CID 79983577

IUPAC6-bromo-N-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCNC1COc2cc(Br)ccc21
InChIInChI=1S/C9H10BrNO/c1-11-8-5-12-9-4-6(10)2-3-7(8)9/h2-4,8,11H,5H2,1H3
InChIKeyFQBOCXBYKNMXEF-UHFFFAOYSA-N
MW228.09 g/mol
LogP2.10
Rot. Bonds1

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

6-bromo-N-methyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 79983577) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is 6-bromo-N-methyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name6-bromo-N-methyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID79983577
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name6-bromo-N-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCNC1COc2cc(Br)ccc21
InChIInChI=1S/C9H10BrNO/c1-11-8-5-12-9-4-6(10)2-3-7(8)9/h2-4,8,11H,5H2,1H3
InChIKeyFQBOCXBYKNMXEF-UHFFFAOYSA-N
XLogP2.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 6-bromo-N-methyl-2,3-dihydro-1-benzofuran-3-amine (CID 79983577) is 6-bromo-N-methyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 6-bromo-N-methyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 6-bromo-N-methyl-2,3-dihydro-1-benzofuran-3-amine is CNC1COc2cc(Br)ccc21.
What is the InChIKey of 6-bromo-N-methyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is FQBOCXBYKNMXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c1-11-8-5-12-9-4-6(10)2-3-7(8)9/h2-4,8,11H,5H2,1H3.
What are the key properties of 6-bromo-N-methyl-2,3-dihydro-1-benzofuran-3-amine?
6-bromo-N-methyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 228.09 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-methyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 79983577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).