1-(5-fluoro-1-benzofuran-2-yl)-N,3-dimethylpentan-1-amine

C15H20FNO — CID 105046111

IUPAC1-(5-fluoro-1-benzofuran-2-yl)-N,3-dimethylpentan-1-amine
SMILESCCC(C)CC(NC)c1cc2cc(F)ccc2o1
InChIInChI=1S/C15H20FNO/c1-4-10(2)7-13(17-3)15-9-11-8-12(16)5-6-14(11)18-15/h5-6,8-10,13,17H,4,7H2,1-3H3
InChIKeyQJTADOJADBUXCY-UHFFFAOYSA-N
MW249.33 g/mol
LogP4.27
Rot. Bonds5

About 1-(5-fluoro-1-benzofuran-2-yl)-N,3-dimethylpentan-1-amine

1-(5-fluoro-1-benzofuran-2-yl)-N,3-dimethylpentan-1-amine (PubChem CID 105046111) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzofuran-2-yl)-N,3-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-1-benzofuran-2-yl)-N,3-dimethylpentan-1-amine
PubChem CID105046111
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name1-(5-fluoro-1-benzofuran-2-yl)-N,3-dimethylpentan-1-amine
SMILESCCC(C)CC(NC)c1cc2cc(F)ccc2o1
InChIInChI=1S/C15H20FNO/c1-4-10(2)7-13(17-3)15-9-11-8-12(16)5-6-14(11)18-15/h5-6,8-10,13,17H,4,7H2,1-3H3
InChIKeyQJTADOJADBUXCY-UHFFFAOYSA-N
XLogP4.27
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-1-benzofuran-2-yl)propylhydrazine
CID 105201183
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine
CID 105185778
1-(2,4-difluorophenyl)-N,3-dimethylpentan-1-amine
CID 63084219
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 114730770
N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-2-phenylethanamine
CID 114727698
1-(5-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine
CID 114728136
2-(3-chlorophenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylethanamine
CID 114727688
3-cyclohexyl-1-(5-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 105046030
2-ethyl-1-(5-fluoro-1-benzofuran-2-yl)butan-1-amine
CID 105046223
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-2-methylsulfonylpropan-1-amine
CID 105046197
[2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)ethyl]hydrazine
CID 105235462
1-(3-fluorophenyl)-N,3-dimethylpentan-1-amine
CID 62607548

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)-N,3-dimethylpentan-1-amine?
The IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)-N,3-dimethylpentan-1-amine (CID 105046111) is 1-(5-fluoro-1-benzofuran-2-yl)-N,3-dimethylpentan-1-amine.
What is the SMILES notation for 1-(5-fluoro-1-benzofuran-2-yl)-N,3-dimethylpentan-1-amine?
The canonical SMILES for 1-(5-fluoro-1-benzofuran-2-yl)-N,3-dimethylpentan-1-amine is CCC(C)CC(NC)c1cc2cc(F)ccc2o1.
What is the InChIKey of 1-(5-fluoro-1-benzofuran-2-yl)-N,3-dimethylpentan-1-amine?
The InChIKey is QJTADOJADBUXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-4-10(2)7-13(17-3)15-9-11-8-12(16)5-6-14(11)18-15/h5-6,8-10,13,17H,4,7H2,1-3H3.
What are the key properties of 1-(5-fluoro-1-benzofuran-2-yl)-N,3-dimethylpentan-1-amine?
1-(5-fluoro-1-benzofuran-2-yl)-N,3-dimethylpentan-1-amine has a molecular weight of 249.33 g/mol, XLogP of 4.27, 5 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)-N,3-dimethylpentan-1-amine is sourced from PubChem (CID 105046111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).