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

C14H18FNO2 — CID 114731292

IUPAC2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
SMILESCCOC(C)(C)C(N)c1cc2cc(F)ccc2o1
InChIInChI=1S/C14H18FNO2/c1-4-17-14(2,3)13(16)12-8-9-7-10(15)5-6-11(9)18-12/h5-8,13H,4,16H2,1-3H3
InChIKeyYTWNHBFIDSFBBT-UHFFFAOYSA-N
MW251.30 g/mol
LogP3.39
Rot. Bonds4

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

2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine (PubChem CID 114731292) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
PubChem CID114731292
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
SMILESCCOC(C)(C)C(N)c1cc2cc(F)ccc2o1
InChIInChI=1S/C14H18FNO2/c1-4-17-14(2,3)13(16)12-8-9-7-10(15)5-6-11(9)18-12/h5-8,13H,4,16H2,1-3H3
InChIKeyYTWNHBFIDSFBBT-UHFFFAOYSA-N
XLogP3.39
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-one
CID 114726166
2-ethoxy-2-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 114731371
diethyl 2-(5-fluoro-1-benzofuran-2-yl)propanedioate
CID 114732709
1-(5-fluoro-1-benzofuran-2-yl)-2-methyl-2-phenylpropan-1-amine
CID 114728507
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
[2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)ethyl]hydrazine
CID 105235462
2-ethoxy-1-(3-fluorophenyl)-2-methylpropan-1-amine
CID 116726326
1-(5-fluoro-1-benzofuran-2-yl)propylhydrazine
CID 105201183
[1-(5-fluoro-1-benzofuran-2-yl)-2-propylpentyl]hydrazine
CID 105338630
1-(5-fluoro-1-benzofuran-2-yl)decan-1-amine
CID 105046157
1-(5-fluoro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 114731322

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine?
The IUPAC name of 2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine (CID 114731292) is 2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine is CCOC(C)(C)C(N)c1cc2cc(F)ccc2o1.
What is the InChIKey of 2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine?
The InChIKey is YTWNHBFIDSFBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-4-17-14(2,3)13(16)12-8-9-7-10(15)5-6-11(9)18-12/h5-8,13H,4,16H2,1-3H3.
What are the key properties of 2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine?
2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine has a molecular weight of 251.30 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 114731292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).