2-ethoxy-2-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-N-methylbutan-1-amine

C17H24FNO2 — CID 114731371

IUPAC2-ethoxy-2-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-N-methylbutan-1-amine
SMILESCCOC(CC)(CC)C(NC)c1cc2cc(F)ccc2o1
InChIInChI=1S/C17H24FNO2/c1-5-17(6-2,20-7-3)16(19-4)15-11-12-10-13(18)8-9-14(12)21-15/h8-11,16,19H,5-7H2,1-4H3
InChIKeyKWYMXFJVRATQKQ-UHFFFAOYSA-N
MW293.38 g/mol
LogP4.43
Rot. Bonds7

About 2-ethoxy-2-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-N-methylbutan-1-amine

2-ethoxy-2-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-N-methylbutan-1-amine (PubChem CID 114731371) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 2-ethoxy-2-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-2-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-N-methylbutan-1-amine
PubChem CID114731371
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name2-ethoxy-2-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-N-methylbutan-1-amine
SMILESCCOC(CC)(CC)C(NC)c1cc2cc(F)ccc2o1
InChIInChI=1S/C17H24FNO2/c1-5-17(6-2,20-7-3)16(19-4)15-11-12-10-13(18)8-9-14(12)21-15/h8-11,16,19H,5-7H2,1-4H3
InChIKeyKWYMXFJVRATQKQ-UHFFFAOYSA-N
XLogP4.43
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 114731322
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
diethyl 2-(5-fluoro-1-benzofuran-2-yl)propanedioate
CID 114732709
[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
N,2,2-trimethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine
CID 105045170
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-pyrimidin-2-ylmethanamine
CID 114727953
1-(5-fluoro-1-benzofuran-2-yl)-2-methoxyethanamine
CID 114728098
2-ethyl-1-(5-fluoro-1-benzofuran-2-yl)butan-1-amine
CID 105046223
1-(5-chloro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 114731317

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-N-methylbutan-1-amine?
The IUPAC name of 2-ethoxy-2-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-N-methylbutan-1-amine (CID 114731371) is 2-ethoxy-2-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-N-methylbutan-1-amine.
What is the SMILES notation for 2-ethoxy-2-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-N-methylbutan-1-amine?
The canonical SMILES for 2-ethoxy-2-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-N-methylbutan-1-amine is CCOC(CC)(CC)C(NC)c1cc2cc(F)ccc2o1.
What is the InChIKey of 2-ethoxy-2-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-N-methylbutan-1-amine?
The InChIKey is KWYMXFJVRATQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-5-17(6-2,20-7-3)16(19-4)15-11-12-10-13(18)8-9-14(12)21-15/h8-11,16,19H,5-7H2,1-4H3.
What are the key properties of 2-ethoxy-2-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-N-methylbutan-1-amine?
2-ethoxy-2-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-N-methylbutan-1-amine has a molecular weight of 293.38 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-N-methylbutan-1-amine is sourced from PubChem (CID 114731371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).