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

C12H14FNO — CID 114735425

IUPAC2-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)c1cc2cc(F)ccc2o1
InChIInChI=1S/C12H14FNO/c1-12(2,7-14)11-6-8-5-9(13)3-4-10(8)15-11/h3-6H,7,14H2,1-2H3
InChIKeyUMBZKYQMNIJVMU-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.81
Rot. Bonds2

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

2-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine (PubChem CID 114735425) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 2-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
PubChem CID114735425
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name2-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)c1cc2cc(F)ccc2o1
InChIInChI=1S/C12H14FNO/c1-12(2,7-14)11-6-8-5-9(13)3-4-10(8)15-11/h3-6H,7,14H2,1-2H3
InChIKeyUMBZKYQMNIJVMU-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-amine
CID 114735490
4-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-2-ol
CID 114733754
2-(5-fluoro-1-benzofuran-2-yl)heptan-2-ol
CID 114724338
1-(5-fluoro-1-benzofuran-2-yl)-1-phenylethanol
CID 114722950
2-(5-fluoro-1-benzofuran-2-yl)-1-(2-fluorophenyl)propan-2-ol
CID 114832934
2-(7-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 114735426
1-(5-fluoro-1-benzofuran-2-yl)-1-(3-fluoro-4-methylphenyl)ethanol
CID 114724299
3-amino-1-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114736778
2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 114731292
2-amino-1-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114736167
2-(5-fluorofuran-2-yl)-2-methylpropan-1-amine
CID 84763841
N'-(5-fluoro-1-benzofuran-2-yl)propane-1,3-diamine
CID 114732622

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine?
The IUPAC name of 2-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine (CID 114735425) is 2-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine is CC(C)(CN)c1cc2cc(F)ccc2o1.
What is the InChIKey of 2-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine?
The InChIKey is UMBZKYQMNIJVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-12(2,7-14)11-6-8-5-9(13)3-4-10(8)15-11/h3-6H,7,14H2,1-2H3.
What are the key properties of 2-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine?
2-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine has a molecular weight of 207.25 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 114735425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).