2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanone

C13H18FNO2 — CID 14471317

IUPAC2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCCN(CC)CC(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C13H18FNO2/c1-4-15(5-2)9-12(16)10-6-7-13(17-3)11(14)8-10/h6-8H,4-5,9H2,1-3H3
InChIKeyTXPTUFKCOPKPON-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.36
Rot. Bonds6

About 2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanone

2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanone (PubChem CID 14471317) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanone
PubChem CID14471317
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCCN(CC)CC(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C13H18FNO2/c1-4-15(5-2)9-12(16)10-6-7-13(17-3)11(14)8-10/h6-8H,4-5,9H2,1-3H3
InChIKeyTXPTUFKCOPKPON-UHFFFAOYSA-N
XLogP2.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclobutylmethyl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 107399827
2-[butan-2-yl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43795984
1-(3-fluoro-4-methoxyphenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone
CID 61452057
2-[butyl(methyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43227810
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
2-[3-(dimethylamino)propyl-methylamino]-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 63700928
N,N-diethyl-2-(3-fluoro-4-methoxyphenyl)-2-oxoacetamide
CID 94270213
1-(3,4-difluorophenyl)-2-[ethyl(2-methoxyethyl)amino]ethanone
CID 54948866
1-(diethylamino)propan-2-yl 3-fluoro-4-methoxybenzoate
CID 165354472
1-(3-amino-4-fluorophenyl)-2-(diethylamino)ethanone
CID 96659527
1-(3-fluoro-4-methoxyphenyl)undecan-1-one
CID 22446418
3-ethoxy-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 105097300

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanone?
The IUPAC name of 2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanone (CID 14471317) is 2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanone is CCN(CC)CC(=O)c1ccc(OC)c(F)c1.
What is the InChIKey of 2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanone?
The InChIKey is TXPTUFKCOPKPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-4-15(5-2)9-12(16)10-6-7-13(17-3)11(14)8-10/h6-8H,4-5,9H2,1-3H3.
What are the key properties of 2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanone?
2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanone has a molecular weight of 239.29 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanone is sourced from PubChem (CID 14471317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).