7-bromo-N-methoxy-2,3-dihydro-1-benzofuran-3-amine

C9H10BrNO2 — CID 81481939

IUPAC7-bromo-N-methoxy-2,3-dihydro-1-benzofuran-3-amine
SMILESCONC1COc2c(Br)cccc21
InChIInChI=1S/C9H10BrNO2/c1-12-11-8-5-13-9-6(8)3-2-4-7(9)10/h2-4,8,11H,5H2,1H3
InChIKeyYCSKQAMHULTJKT-UHFFFAOYSA-N
MW244.09 g/mol
LogP2.03
Rot. Bonds2

About 7-bromo-N-methoxy-2,3-dihydro-1-benzofuran-3-amine

7-bromo-N-methoxy-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 81481939) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is 7-bromo-N-methoxy-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name7-bromo-N-methoxy-2,3-dihydro-1-benzofuran-3-amine
PubChem CID81481939
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC Name7-bromo-N-methoxy-2,3-dihydro-1-benzofuran-3-amine
SMILESCONC1COc2c(Br)cccc21
InChIInChI=1S/C9H10BrNO2/c1-12-11-8-5-13-9-6(8)3-2-4-7(9)10/h2-4,8,11H,5H2,1H3
InChIKeyYCSKQAMHULTJKT-UHFFFAOYSA-N
XLogP2.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-methoxy-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 7-bromo-N-methoxy-2,3-dihydro-1-benzofuran-3-amine (CID 81481939) is 7-bromo-N-methoxy-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 7-bromo-N-methoxy-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 7-bromo-N-methoxy-2,3-dihydro-1-benzofuran-3-amine is CONC1COc2c(Br)cccc21.
What is the InChIKey of 7-bromo-N-methoxy-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is YCSKQAMHULTJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c1-12-11-8-5-13-9-6(8)3-2-4-7(9)10/h2-4,8,11H,5H2,1H3.
What are the key properties of 7-bromo-N-methoxy-2,3-dihydro-1-benzofuran-3-amine?
7-bromo-N-methoxy-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 244.09 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-methoxy-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 81481939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).