1-(3-fluoro-4-methoxyphenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone

C14H20FNO3 — CID 61452057

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone
SMILESCOCC(C)N(C)CC(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C14H20FNO3/c1-10(9-18-3)16(2)8-13(17)11-5-6-14(19-4)12(15)7-11/h5-7,10H,8-9H2,1-4H3
InChIKeySVNZTBFHNVCCJQ-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.98
Rot. Bonds7

About 1-(3-fluoro-4-methoxyphenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone

1-(3-fluoro-4-methoxyphenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone (PubChem CID 61452057) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone
PubChem CID61452057
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone
SMILESCOCC(C)N(C)CC(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C14H20FNO3/c1-10(9-18-3)16(2)8-13(17)11-5-6-14(19-4)12(15)7-11/h5-7,10H,8-9H2,1-4H3
InChIKeySVNZTBFHNVCCJQ-UHFFFAOYSA-N
XLogP1.98
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 14471317
2-[butan-2-yl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43795984
2-[butyl(methyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43227810
2-[3-(dimethylamino)propyl-methylamino]-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 63700928
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
3-ethoxy-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 105097300
2-butan-2-ylsulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43220186
3-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one
CID 81463484
4,4-difluoro-1-(3-fluoro-4-methoxyphenyl)butane-1,3-dione
CID 15484969
1-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylsulfanyl)ethanone
CID 43220189
3-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-methylamino]butanenitrile
CID 63223438
1-(3-fluoro-4-methoxyphenyl)undecan-1-one
CID 22446418

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone (CID 61452057) is 1-(3-fluoro-4-methoxyphenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone is COCC(C)N(C)CC(=O)c1ccc(OC)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone?
The InChIKey is SVNZTBFHNVCCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-10(9-18-3)16(2)8-13(17)11-5-6-14(19-4)12(15)7-11/h5-7,10H,8-9H2,1-4H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone?
1-(3-fluoro-4-methoxyphenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone has a molecular weight of 269.32 g/mol, XLogP of 1.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone is sourced from PubChem (CID 61452057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).