2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-amine

C15H20FNO2 — CID 114731187

IUPAC2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-amine
SMILESCCOC(C(C)C)C(N)c1cc2cccc(F)c2o1
InChIInChI=1S/C15H20FNO2/c1-4-18-14(9(2)3)13(17)12-8-10-6-5-7-11(16)15(10)19-12/h5-9,13-14H,4,17H2,1-3H3
InChIKeyFOTMUCYNBAOWPL-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.63
Rot. Bonds5

About 2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-amine

2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-amine (PubChem CID 114731187) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-amine
PubChem CID114731187
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-amine
SMILESCCOC(C(C)C)C(N)c1cc2cccc(F)c2o1
InChIInChI=1S/C15H20FNO2/c1-4-18-14(9(2)3)13(17)12-8-10-6-5-7-11(16)15(10)19-12/h5-9,13-14H,4,17H2,1-3H3
InChIKeyFOTMUCYNBAOWPL-UHFFFAOYSA-N
XLogP3.63
TPSA48.39 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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
CID 114728785
(1R)-1-(7-fluoro-1-benzofuran-2-yl)butan-1-amine
CID 165455144
7-fluoro-2-propan-2-yl-1-benzofuran
CID 88991552
1-(7-fluoro-1-benzofuran-2-yl)-2-methoxy-3-methylbutan-1-ol
CID 114727339
1-(3,4-difluorophenyl)-2-ethoxy-3-methylbutan-1-amine
CID 116720952
3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
CID 114728036
[1-(7-fluoro-1-benzofuran-2-yl)-2-methoxypropyl]hydrazine
CID 105247114
1-(7-fluoro-1-benzofuran-2-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 105047391
(2-ethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 105047565
1-(7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 65439621
1-(7-fluoro-1-benzofuran-2-yl)-3-methylpentan-1-ol
CID 115836909
(1-ethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 105047532

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-amine?
The IUPAC name of 2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-amine (CID 114731187) is 2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-amine?
The canonical SMILES for 2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-amine is CCOC(C(C)C)C(N)c1cc2cccc(F)c2o1.
What is the InChIKey of 2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-amine?
The InChIKey is FOTMUCYNBAOWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-4-18-14(9(2)3)13(17)12-8-10-6-5-7-11(16)15(10)19-12/h5-9,13-14H,4,17H2,1-3H3.
What are the key properties of 2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-amine?
2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-amine has a molecular weight of 265.33 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 114731187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).