1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine

C12H14FNO — CID 65438276

IUPAC1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
SMILESCC(C)C(N)c1cc2cc(F)ccc2o1
InChIInChI=1S/C12H14FNO/c1-7(2)12(14)11-6-8-5-9(13)3-4-10(8)15-11/h3-7,12H,14H2,1-2H3
InChIKeyGGLHORIYXSKKJU-UHFFFAOYSA-N
MW207.25 g/mol
LogP3.23
Rot. Bonds2

About 1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine

1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine (PubChem CID 65438276) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
PubChem CID65438276
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
SMILESCC(C)C(N)c1cc2cc(F)ccc2o1
InChIInChI=1S/C12H14FNO/c1-7(2)12(14)11-6-8-5-9(13)3-4-10(8)15-11/h3-7,12H,14H2,1-2H3
InChIKeyGGLHORIYXSKKJU-UHFFFAOYSA-N
XLogP3.23
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine?
The IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine (CID 65438276) is 1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine is CC(C)C(N)c1cc2cc(F)ccc2o1.
What is the InChIKey of 1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine?
The InChIKey is GGLHORIYXSKKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-7(2)12(14)11-6-8-5-9(13)3-4-10(8)15-11/h3-7,12H,14H2,1-2H3.
What are the key properties of 1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine?
1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine has a molecular weight of 207.25 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 65438276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).