[1-(3-bromo-1-benzofuran-7-yl)cyclobutyl]methanamine

C13H14BrNO — CID 117449463

IUPAC[1-(3-bromo-1-benzofuran-7-yl)cyclobutyl]methanamine
SMILESNCC1(c2cccc3c(Br)coc23)CCC1
InChIInChI=1S/C13H14BrNO/c14-11-7-16-12-9(11)3-1-4-10(12)13(8-15)5-2-6-13/h1,3-4,7H,2,5-6,8,15H2
InChIKeyFPXUXJMUADSPHC-UHFFFAOYSA-N
MW280.16 g/mol
LogP3.58
Rot. Bonds2

About [1-(3-bromo-1-benzofuran-7-yl)cyclobutyl]methanamine

[1-(3-bromo-1-benzofuran-7-yl)cyclobutyl]methanamine (PubChem CID 117449463) has the molecular formula C13H14BrNO and a molecular weight of 280.16 g/mol. Its IUPAC name is [1-(3-bromo-1-benzofuran-7-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(3-bromo-1-benzofuran-7-yl)cyclobutyl]methanamine
PubChem CID117449463
Molecular FormulaC13H14BrNO
Molecular Weight280.16 g/mol
Exact Mass279.03
IUPAC Name[1-(3-bromo-1-benzofuran-7-yl)cyclobutyl]methanamine
SMILESNCC1(c2cccc3c(Br)coc23)CCC1
InChIInChI=1S/C13H14BrNO/c14-11-7-16-12-9(11)3-1-4-10(12)13(8-15)5-2-6-13/h1,3-4,7H,2,5-6,8,15H2
InChIKeyFPXUXJMUADSPHC-UHFFFAOYSA-N
XLogP3.58
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.16
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-1-benzofuran-7-yl)cyclobutyl]methanamine?
The IUPAC name of [1-(3-bromo-1-benzofuran-7-yl)cyclobutyl]methanamine (CID 117449463) is [1-(3-bromo-1-benzofuran-7-yl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(3-bromo-1-benzofuran-7-yl)cyclobutyl]methanamine?
The canonical SMILES for [1-(3-bromo-1-benzofuran-7-yl)cyclobutyl]methanamine is NCC1(c2cccc3c(Br)coc23)CCC1.
What is the InChIKey of [1-(3-bromo-1-benzofuran-7-yl)cyclobutyl]methanamine?
The InChIKey is FPXUXJMUADSPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO/c14-11-7-16-12-9(11)3-1-4-10(12)13(8-15)5-2-6-13/h1,3-4,7H,2,5-6,8,15H2.
What are the key properties of [1-(3-bromo-1-benzofuran-7-yl)cyclobutyl]methanamine?
[1-(3-bromo-1-benzofuran-7-yl)cyclobutyl]methanamine has a molecular weight of 280.16 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-1-benzofuran-7-yl)cyclobutyl]methanamine is sourced from PubChem (CID 117449463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).