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

C13H18FNO3 — CID 62334675

IUPAC1-(5-fluoro-2-methoxyphenyl)-2-[2-hydroxypropyl(methyl)amino]ethanone
SMILESCOc1ccc(F)cc1C(=O)CN(C)CC(C)O
InChIInChI=1S/C13H18FNO3/c1-9(16)7-15(2)8-12(17)11-6-10(14)4-5-13(11)18-3/h4-6,9,16H,7-8H2,1-3H3
InChIKeyMANONFFSOBFAMB-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.33
Rot. Bonds6

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

1-(5-fluoro-2-methoxyphenyl)-2-[2-hydroxypropyl(methyl)amino]ethanone (PubChem CID 62334675) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-2-[2-hydroxypropyl(methyl)amino]ethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-2-[2-hydroxypropyl(methyl)amino]ethanone
PubChem CID62334675
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-2-[2-hydroxypropyl(methyl)amino]ethanone
SMILESCOc1ccc(F)cc1C(=O)CN(C)CC(C)O
InChIInChI=1S/C13H18FNO3/c1-9(16)7-15(2)8-12(17)11-6-10(14)4-5-13(11)18-3/h4-6,9,16H,7-8H2,1-3H3
InChIKeyMANONFFSOBFAMB-UHFFFAOYSA-N
XLogP1.33
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propyl)amino]ethanone
CID 43795594
2-[benzyl(methyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 62051933
1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-one
CID 43161544
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
2-[cyclopentyl(methyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43795234
1-(5-fluoro-2-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207824
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350
2-[ethyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 62052022
N-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide
CID 94270193
2-butan-2-ylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43412504
2-[ethyl(3-hydroxypropyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 113468792

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-2-[2-hydroxypropyl(methyl)amino]ethanone?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-2-[2-hydroxypropyl(methyl)amino]ethanone (CID 62334675) is 1-(5-fluoro-2-methoxyphenyl)-2-[2-hydroxypropyl(methyl)amino]ethanone.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-2-[2-hydroxypropyl(methyl)amino]ethanone?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-2-[2-hydroxypropyl(methyl)amino]ethanone is COc1ccc(F)cc1C(=O)CN(C)CC(C)O.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-2-[2-hydroxypropyl(methyl)amino]ethanone?
The InChIKey is MANONFFSOBFAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-9(16)7-15(2)8-12(17)11-6-10(14)4-5-13(11)18-3/h4-6,9,16H,7-8H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-2-[2-hydroxypropyl(methyl)amino]ethanone?
1-(5-fluoro-2-methoxyphenyl)-2-[2-hydroxypropyl(methyl)amino]ethanone has a molecular weight of 255.29 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-2-[2-hydroxypropyl(methyl)amino]ethanone is sourced from PubChem (CID 62334675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).