2-[butyl(methyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone

C13H18FNO2 — CID 43794123

IUPAC2-[butyl(methyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone
SMILESCCCCN(C)CC(=O)c1cc(F)ccc1O
InChIInChI=1S/C13H18FNO2/c1-3-4-7-15(2)9-13(17)11-8-10(14)5-6-12(11)16/h5-6,8,16H,3-4,7,9H2,1-2H3
InChIKeyZRIJKTDLUXIYDR-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.45
Rot. Bonds6

About 2-[butyl(methyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone

2-[butyl(methyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone (PubChem CID 43794123) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone
PubChem CID43794123
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-[butyl(methyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone
SMILESCCCCN(C)CC(=O)c1cc(F)ccc1O
InChIInChI=1S/C13H18FNO2/c1-3-4-7-15(2)9-13(17)11-8-10(14)5-6-12(11)16/h5-6,8,16H,3-4,7,9H2,1-2H3
InChIKeyZRIJKTDLUXIYDR-UHFFFAOYSA-N
XLogP2.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone?
The IUPAC name of 2-[butyl(methyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone (CID 43794123) is 2-[butyl(methyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone.
What is the SMILES notation for 2-[butyl(methyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone?
The canonical SMILES for 2-[butyl(methyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone is CCCCN(C)CC(=O)c1cc(F)ccc1O.
What is the InChIKey of 2-[butyl(methyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone?
The InChIKey is ZRIJKTDLUXIYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-3-4-7-15(2)9-13(17)11-8-10(14)5-6-12(11)16/h5-6,8,16H,3-4,7,9H2,1-2H3.
What are the key properties of 2-[butyl(methyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone?
2-[butyl(methyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone has a molecular weight of 239.29 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone is sourced from PubChem (CID 43794123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).