1-(5-fluoro-1-benzofuran-4-yl)-2-methylpropan-2-amine

C12H14FNO — CID 117295897

IUPAC1-(5-fluoro-1-benzofuran-4-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1c(F)ccc2occc12
InChIInChI=1S/C12H14FNO/c1-12(2,14)7-9-8-5-6-15-11(8)4-3-10(9)13/h3-6H,7,14H2,1-2H3
InChIKeySFRNAPIGXFQLSB-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.85
Rot. Bonds2

About 1-(5-fluoro-1-benzofuran-4-yl)-2-methylpropan-2-amine

1-(5-fluoro-1-benzofuran-4-yl)-2-methylpropan-2-amine (PubChem CID 117295897) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzofuran-4-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-1-benzofuran-4-yl)-2-methylpropan-2-amine
PubChem CID117295897
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name1-(5-fluoro-1-benzofuran-4-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1c(F)ccc2occc12
InChIInChI=1S/C12H14FNO/c1-12(2,14)7-9-8-5-6-15-11(8)4-3-10(9)13/h3-6H,7,14H2,1-2H3
InChIKeySFRNAPIGXFQLSB-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
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-4-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(5-fluoro-1-benzofuran-4-yl)-2-methylpropan-2-amine (CID 117295897) is 1-(5-fluoro-1-benzofuran-4-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(5-fluoro-1-benzofuran-4-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(5-fluoro-1-benzofuran-4-yl)-2-methylpropan-2-amine is CC(C)(N)Cc1c(F)ccc2occc12.
What is the InChIKey of 1-(5-fluoro-1-benzofuran-4-yl)-2-methylpropan-2-amine?
The InChIKey is SFRNAPIGXFQLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-12(2,14)7-9-8-5-6-15-11(8)4-3-10(9)13/h3-6H,7,14H2,1-2H3.
What are the key properties of 1-(5-fluoro-1-benzofuran-4-yl)-2-methylpropan-2-amine?
1-(5-fluoro-1-benzofuran-4-yl)-2-methylpropan-2-amine has a molecular weight of 207.25 g/mol, XLogP of 2.85, 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-4-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 117295897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).