3-(1-benzofuran-6-yl)-4-fluoro-N-methylbutan-2-amine

C13H16FNO — CID 166892557

IUPAC3-(1-benzofuran-6-yl)-4-fluoro-N-methylbutan-2-amine
SMILESCNC(C)C(CF)c1ccc2ccoc2c1
InChIInChI=1S/C13H16FNO/c1-9(15-2)12(8-14)11-4-3-10-5-6-16-13(10)7-11/h3-7,9,12,15H,8H2,1-2H3
InChIKeyBARGHWFIKKBAIM-UHFFFAOYSA-N
MW221.28 g/mol
LogP3.09
Rot. Bonds4

About 3-(1-benzofuran-6-yl)-4-fluoro-N-methylbutan-2-amine

3-(1-benzofuran-6-yl)-4-fluoro-N-methylbutan-2-amine (PubChem CID 166892557) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 3-(1-benzofuran-6-yl)-4-fluoro-N-methylbutan-2-amine.

Molecular Properties

Compound Name3-(1-benzofuran-6-yl)-4-fluoro-N-methylbutan-2-amine
PubChem CID166892557
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name3-(1-benzofuran-6-yl)-4-fluoro-N-methylbutan-2-amine
SMILESCNC(C)C(CF)c1ccc2ccoc2c1
InChIInChI=1S/C13H16FNO/c1-9(15-2)12(8-14)11-4-3-10-5-6-16-13(10)7-11/h3-7,9,12,15H,8H2,1-2H3
InChIKeyBARGHWFIKKBAIM-UHFFFAOYSA-N
XLogP3.09
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzofuran-6-yl)-4-fluoro-2-(methylamino)butane-1,3-diol
CID 175898313
(2S,3R)-3-(1,3-benzodioxol-5-yl)-4-fluoro-N-methylbutan-2-amine
CID 171532345
1-(1-benzofuran-6-yl)-3,3,3-trichloro-2-(methylamino)propan-1-ol
CID 166892374
1-(1-benzofuran-6-yl)-N-methylpropan-2-amine;methanol
CID 168924242
diethyl 2-(1-benzofuran-6-yl)propanedioate
CID 166892758
2-(1-benzofuran-6-yl)-3-methylbutanenitrile
CID 54066355
1-(1-benzofuran-6-yl)-3-chloro-2-(methylamino)propan-1-one
CID 166892590
3-(1-benzofuran-5-yl)-N-ethylhexan-2-amine
CID 166892612
1-(1-benzofuran-5-yl)-3-fluoro-2-(methylamino)propan-1-one
CID 169069289
2-(1-benzofuran-6-yl)-4-chloro-1-fluoro-3-(methylamino)butan-2-ol
CID 166892349
3-(1-benzofuran-6-yl)-3-methyl-2-(methylamino)butan-1-ol
CID 168924273
1-(1-benzofuran-6-yl)-4-chloro-2-(ethylamino)butan-1-ol
CID 163780853

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-6-yl)-4-fluoro-N-methylbutan-2-amine?
The IUPAC name of 3-(1-benzofuran-6-yl)-4-fluoro-N-methylbutan-2-amine (CID 166892557) is 3-(1-benzofuran-6-yl)-4-fluoro-N-methylbutan-2-amine.
What is the SMILES notation for 3-(1-benzofuran-6-yl)-4-fluoro-N-methylbutan-2-amine?
The canonical SMILES for 3-(1-benzofuran-6-yl)-4-fluoro-N-methylbutan-2-amine is CNC(C)C(CF)c1ccc2ccoc2c1.
What is the InChIKey of 3-(1-benzofuran-6-yl)-4-fluoro-N-methylbutan-2-amine?
The InChIKey is BARGHWFIKKBAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-9(15-2)12(8-14)11-4-3-10-5-6-16-13(10)7-11/h3-7,9,12,15H,8H2,1-2H3.
What are the key properties of 3-(1-benzofuran-6-yl)-4-fluoro-N-methylbutan-2-amine?
3-(1-benzofuran-6-yl)-4-fluoro-N-methylbutan-2-amine has a molecular weight of 221.28 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-6-yl)-4-fluoro-N-methylbutan-2-amine is sourced from PubChem (CID 166892557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).