2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine

C13H16FNO2 — CID 114728785

IUPAC2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
SMILESCCOC(C)C(N)c1cc2cccc(F)c2o1
InChIInChI=1S/C13H16FNO2/c1-3-16-8(2)12(15)11-7-9-5-4-6-10(14)13(9)17-11/h4-8,12H,3,15H2,1-2H3
InChIKeyTUWXEIQNRHVHML-UHFFFAOYSA-N
MW237.27 g/mol
LogP3.00
Rot. Bonds4

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

2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine (PubChem CID 114728785) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
PubChem CID114728785
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
SMILESCCOC(C)C(N)c1cc2cccc(F)c2o1
InChIInChI=1S/C13H16FNO2/c1-3-16-8(2)12(15)11-7-9-5-4-6-10(14)13(9)17-11/h4-8,12H,3,15H2,1-2H3
InChIKeyTUWXEIQNRHVHML-UHFFFAOYSA-N
XLogP3.00
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-amine
CID 114731187
(1R)-1-(7-fluoro-1-benzofuran-2-yl)butan-1-amine
CID 165455144
1-(1-benzofuran-2-yl)-2-ethoxypropan-1-amine
CID 114728782
7-fluoro-2-propan-2-yl-1-benzofuran
CID 88991552
[1-(7-fluoro-1-benzofuran-2-yl)-2-methoxypropyl]hydrazine
CID 105247114
3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
CID 114728036
1-(7-fluoro-1-benzofuran-2-yl)pentan-1-ol
CID 114723732
(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-(7-fluoro-1-benzofuran-2-yl)-N,4-dimethylpentan-1-amine
CID 114728123
(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)propan-1-amine?
The IUPAC name of 2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine (CID 114728785) is 2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine.
What is the SMILES notation for 2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine?
The canonical SMILES for 2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine is CCOC(C)C(N)c1cc2cccc(F)c2o1.
What is the InChIKey of 2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine?
The InChIKey is TUWXEIQNRHVHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-3-16-8(2)12(15)11-7-9-5-4-6-10(14)13(9)17-11/h4-8,12H,3,15H2,1-2H3.
What are the key properties of 2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine?
2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine has a molecular weight of 237.27 g/mol, XLogP of 3.00, 4 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)propan-1-amine is sourced from PubChem (CID 114728785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).