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

C14H20FNO2 — CID 43794185

IUPAC2-[butyl(ethyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone
SMILESCCCCN(CC)CC(=O)c1cc(F)ccc1O
InChIInChI=1S/C14H20FNO2/c1-3-5-8-16(4-2)10-14(18)12-9-11(15)6-7-13(12)17/h6-7,9,17H,3-5,8,10H2,1-2H3
InChIKeyBUPOFYWJQOBCLY-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.84
Rot. Bonds7

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

2-[butyl(ethyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone (PubChem CID 43794185) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[butyl(ethyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-[butyl(ethyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone
PubChem CID43794185
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-[butyl(ethyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone
SMILESCCCCN(CC)CC(=O)c1cc(F)ccc1O
InChIInChI=1S/C14H20FNO2/c1-3-5-8-16(4-2)10-14(18)12-9-11(15)6-7-13(12)17/h6-7,9,17H,3-5,8,10H2,1-2H3
InChIKeyBUPOFYWJQOBCLY-UHFFFAOYSA-N
XLogP2.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl(ethyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone?
The IUPAC name of 2-[butyl(ethyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone (CID 43794185) is 2-[butyl(ethyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone.
What is the SMILES notation for 2-[butyl(ethyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone?
The canonical SMILES for 2-[butyl(ethyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone is CCCCN(CC)CC(=O)c1cc(F)ccc1O.
What is the InChIKey of 2-[butyl(ethyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone?
The InChIKey is BUPOFYWJQOBCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-3-5-8-16(4-2)10-14(18)12-9-11(15)6-7-13(12)17/h6-7,9,17H,3-5,8,10H2,1-2H3.
What are the key properties of 2-[butyl(ethyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone?
2-[butyl(ethyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone has a molecular weight of 253.32 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(ethyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone is sourced from PubChem (CID 43794185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).