1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propyl)amino]ethanone

C13H18FNO2 — CID 43795594

IUPAC1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propyl)amino]ethanone
SMILESCCCN(C)CC(=O)c1cc(F)ccc1OC
InChIInChI=1S/C13H18FNO2/c1-4-7-15(2)9-12(16)11-8-10(14)5-6-13(11)17-3/h5-6,8H,4,7,9H2,1-3H3
InChIKeyGZMJGEBMCDAAHI-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.36
Rot. Bonds6

About 1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propyl)amino]ethanone

1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propyl)amino]ethanone (PubChem CID 43795594) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propyl)amino]ethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propyl)amino]ethanone
PubChem CID43795594
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propyl)amino]ethanone
SMILESCCCN(C)CC(=O)c1cc(F)ccc1OC
InChIInChI=1S/C13H18FNO2/c1-4-7-15(2)9-12(16)11-8-10(14)5-6-13(11)17-3/h5-6,8H,4,7,9H2,1-3H3
InChIKeyGZMJGEBMCDAAHI-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-[benzyl(methyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 62051933
1-(5-fluoro-2-methoxyphenyl)-2-[propan-2-yl(propyl)amino]ethanone
CID 43795412
2-[[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 60680062
1-(5-fluoro-2-methoxyphenyl)-2-[2-hydroxypropyl(methyl)amino]ethanone
CID 62334675
1-(5-fluoro-2-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207824
2-[ethyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 62052022
2-[cyclopentyl(methyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43795234
2-[ethyl(3-hydroxypropyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 113468792
1-(5-fluoro-2-methoxyphenyl)hexan-1-one
CID 43161521
1-(5-fluoro-2-methoxyphenyl)-2-propylsulfonylethanone
CID 64641649
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350
1-(5-fluoro-2-methoxyphenyl)-3-propoxypropan-1-one
CID 105125146

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propyl)amino]ethanone?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propyl)amino]ethanone (CID 43795594) is 1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propyl)amino]ethanone.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propyl)amino]ethanone?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propyl)amino]ethanone is CCCN(C)CC(=O)c1cc(F)ccc1OC.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propyl)amino]ethanone?
The InChIKey is GZMJGEBMCDAAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-4-7-15(2)9-12(16)11-8-10(14)5-6-13(11)17-3/h5-6,8H,4,7,9H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propyl)amino]ethanone?
1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propyl)amino]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 1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propyl)amino]ethanone is sourced from PubChem (CID 43795594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).