2-(7-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine

C12H14FNO — CID 114735426

IUPAC2-(7-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)c1cc2cccc(F)c2o1
InChIInChI=1S/C12H14FNO/c1-12(2,7-14)10-6-8-4-3-5-9(13)11(8)15-10/h3-6H,7,14H2,1-2H3
InChIKeyHDDFBFTVMBLWHH-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.81
Rot. Bonds2

About 2-(7-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine

2-(7-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine (PubChem CID 114735426) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 2-(7-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(7-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
PubChem CID114735426
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name2-(7-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)c1cc2cccc(F)c2o1
InChIInChI=1S/C12H14FNO/c1-12(2,7-14)10-6-8-4-3-5-9(13)11(8)15-10/h3-6H,7,14H2,1-2H3
InChIKeyHDDFBFTVMBLWHH-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

2-(7-fluoro-1-benzofuran-2-yl)pentan-2-ol
CID 114724331
2-(7-fluoro-1-benzofuran-2-yl)-2-methylpropanoic acid
CID 114732727
1-(tert-butylamino)-2-(7-fluoro-1-benzofuran-2-yl)propan-2-ol
CID 114735205
3-amino-1-(7-fluoro-1-benzofuran-2-yl)-2,2-dimethylpropan-1-one
CID 114737156
2-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 114735425
1-(2-chlorophenyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanol
CID 114723008
(1R)-1-(7-fluoro-1-benzofuran-2-yl)butan-1-amine
CID 165455144
1-(7-fluoro-1-benzofuran-2-yl)-1-(5-methylthiophen-2-yl)ethanol
CID 114910683
3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
CID 114728036
(7-fluoro-1-benzofuran-2-yl)-trimethylsilane
CID 130535912
7-fluoro-2-propan-2-yl-1-benzofuran
CID 88991552
[4-(7-fluoro-1-benzofuran-2-yl)phenyl]methanamine
CID 114731985

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine?
The IUPAC name of 2-(7-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine (CID 114735426) is 2-(7-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(7-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(7-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine is CC(C)(CN)c1cc2cccc(F)c2o1.
What is the InChIKey of 2-(7-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine?
The InChIKey is HDDFBFTVMBLWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-12(2,7-14)10-6-8-4-3-5-9(13)11(8)15-10/h3-6H,7,14H2,1-2H3.
What are the key properties of 2-(7-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine?
2-(7-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-(7-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 114735426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).