2-(1,3-dioxolan-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)ethanamine

C13H14FNO3 — CID 103544181

IUPAC2-(1,3-dioxolan-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)ethanamine
SMILESNC(CC1OCCO1)c1cc2cccc(F)c2o1
InChIInChI=1S/C13H14FNO3/c14-9-3-1-2-8-6-11(18-13(8)9)10(15)7-12-16-4-5-17-12/h1-3,6,10,12H,4-5,7,15H2
InChIKeyAJKTYNZUDKQDAI-UHFFFAOYSA-N
MW251.26 g/mol
LogP2.33
Rot. Bonds3

About 2-(1,3-dioxolan-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)ethanamine

2-(1,3-dioxolan-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)ethanamine (PubChem CID 103544181) has the molecular formula C13H14FNO3 and a molecular weight of 251.26 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)ethanamine
PubChem CID103544181
Molecular FormulaC13H14FNO3
Molecular Weight251.26 g/mol
Exact Mass251.10
IUPAC Name2-(1,3-dioxolan-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)ethanamine
SMILESNC(CC1OCCO1)c1cc2cccc(F)c2o1
InChIInChI=1S/C13H14FNO3/c14-9-3-1-2-8-6-11(18-13(8)9)10(15)7-12-16-4-5-17-12/h1-3,6,10,12H,4-5,7,15H2
InChIKeyAJKTYNZUDKQDAI-UHFFFAOYSA-N
XLogP2.33
TPSA57.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
CID 114728036
(1R)-1-(7-fluoro-1-benzofuran-2-yl)butan-1-amine
CID 165455144
2-cyclopropyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol
CID 114727065
2-(2,4-difluorophenyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanamine
CID 114728807
(1-ethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 105047532
7-fluoro-2-propan-2-yl-1-benzofuran
CID 88991552
1-(7-fluoro-1-benzofuran-2-yl)-3-(oxolan-2-yl)propan-1-ol
CID 115836935
(7-fluoro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine
CID 112614615
[(7-fluoro-1-benzofuran-2-yl)-(oxolan-2-yl)methyl]hydrazine
CID 105229222
[(7-fluoro-1-benzofuran-2-yl)-(oxan-2-yl)methyl]hydrazine
CID 105339231
(4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 112614586
[2-cyclopropyl-1-(7-fluoro-1-benzofuran-2-yl)propyl]hydrazine
CID 105339223

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)ethanamine?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)ethanamine (CID 103544181) is 2-(1,3-dioxolan-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)ethanamine.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)ethanamine?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)ethanamine is NC(CC1OCCO1)c1cc2cccc(F)c2o1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)ethanamine?
The InChIKey is AJKTYNZUDKQDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3/c14-9-3-1-2-8-6-11(18-13(8)9)10(15)7-12-16-4-5-17-12/h1-3,6,10,12H,4-5,7,15H2.
What are the key properties of 2-(1,3-dioxolan-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)ethanamine?
2-(1,3-dioxolan-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)ethanamine has a molecular weight of 251.26 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)ethanamine is sourced from PubChem (CID 103544181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).