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

C12H14FNO — CID 171632698

IUPAC1-(1-benzofuran-2-yl)-1-fluoro-N-methylpropan-2-amine
SMILESCNC(C)C(F)c1cc2ccccc2o1
InChIInChI=1S/C12H14FNO/c1-8(14-2)12(13)11-7-9-5-3-4-6-10(9)15-11/h3-8,12,14H,1-2H3
InChIKeyVCJJKZZCNWHRSE-UHFFFAOYSA-N
MW207.25 g/mol
LogP3.05
Rot. Bonds3

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

1-(1-benzofuran-2-yl)-1-fluoro-N-methylpropan-2-amine (PubChem CID 171632698) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-1-fluoro-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-1-fluoro-N-methylpropan-2-amine
PubChem CID171632698
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name1-(1-benzofuran-2-yl)-1-fluoro-N-methylpropan-2-amine
SMILESCNC(C)C(F)c1cc2ccccc2o1
InChIInChI=1S/C12H14FNO/c1-8(14-2)12(13)11-7-9-5-3-4-6-10(9)15-11/h3-8,12,14H,1-2H3
InChIKeyVCJJKZZCNWHRSE-UHFFFAOYSA-N
XLogP3.05
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-1-fluoro-N-methylpropan-2-amine?
The IUPAC name of 1-(1-benzofuran-2-yl)-1-fluoro-N-methylpropan-2-amine (CID 171632698) is 1-(1-benzofuran-2-yl)-1-fluoro-N-methylpropan-2-amine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-1-fluoro-N-methylpropan-2-amine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-1-fluoro-N-methylpropan-2-amine is CNC(C)C(F)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-1-fluoro-N-methylpropan-2-amine?
The InChIKey is VCJJKZZCNWHRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-8(14-2)12(13)11-7-9-5-3-4-6-10(9)15-11/h3-8,12,14H,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-1-fluoro-N-methylpropan-2-amine?
1-(1-benzofuran-2-yl)-1-fluoro-N-methylpropan-2-amine has a molecular weight of 207.25 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-1-fluoro-N-methylpropan-2-amine is sourced from PubChem (CID 171632698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).