1-(5-fluoro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine

C15H20FNO2 — CID 114731322

IUPAC1-(5-fluoro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine
SMILESCCC(C)(OC)C(NC)c1cc2cc(F)ccc2o1
InChIInChI=1S/C15H20FNO2/c1-5-15(2,18-4)14(17-3)13-9-10-8-11(16)6-7-12(10)19-13/h6-9,14,17H,5H2,1-4H3
InChIKeyJDESORADHODYHD-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.65
Rot. Bonds5

About 1-(5-fluoro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine

1-(5-fluoro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine (PubChem CID 114731322) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine
PubChem CID114731322
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name1-(5-fluoro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine
SMILESCCC(C)(OC)C(NC)c1cc2cc(F)ccc2o1
InChIInChI=1S/C15H20FNO2/c1-5-15(2,18-4)14(17-3)13-9-10-8-11(16)6-7-12(10)19-13/h6-9,14,17H,5H2,1-4H3
InChIKeyJDESORADHODYHD-UHFFFAOYSA-N
XLogP3.65
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 114731317
2-ethoxy-2-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 114731371
1-(3-fluorophenyl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 116757755
[2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)ethyl]hydrazine
CID 105235462
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine
CID 105185778
1-(5-fluoro-1-benzofuran-2-yl)propylhydrazine
CID 105201183
[1-(5-fluoro-1-benzofuran-2-yl)-2-propylpentyl]hydrazine
CID 105338630
N,2,2-trimethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine
CID 105045170
2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 114731292
1-(5-fluoro-1-benzofuran-2-yl)-N,3-dimethylpentan-1-amine
CID 105046111
2-ethyl-1-(5-fluoro-1-benzofuran-2-yl)butan-1-amine
CID 105046223
1-(5-fluoro-1-benzofuran-2-yl)-2-methoxyethanamine
CID 114728098

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine?
The IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine (CID 114731322) is 1-(5-fluoro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(5-fluoro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(5-fluoro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine is CCC(C)(OC)C(NC)c1cc2cc(F)ccc2o1.
What is the InChIKey of 1-(5-fluoro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine?
The InChIKey is JDESORADHODYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-5-15(2,18-4)14(17-3)13-9-10-8-11(16)6-7-12(10)19-13/h6-9,14,17H,5H2,1-4H3.
What are the key properties of 1-(5-fluoro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine?
1-(5-fluoro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine has a molecular weight of 265.33 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 114731322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).