2-[ethyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone

C13H18FNO3 — CID 62052022

IUPAC2-[ethyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
SMILESCCN(CCO)CC(=O)c1cc(F)ccc1OC
InChIInChI=1S/C13H18FNO3/c1-3-15(6-7-16)9-12(17)11-8-10(14)4-5-13(11)18-2/h4-5,8,16H,3,6-7,9H2,1-2H3
InChIKeyFHDVABQEHXILJI-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.33
Rot. Bonds7

About 2-[ethyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone

2-[ethyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone (PubChem CID 62052022) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-[ethyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[ethyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
PubChem CID62052022
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name2-[ethyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
SMILESCCN(CCO)CC(=O)c1cc(F)ccc1OC
InChIInChI=1S/C13H18FNO3/c1-3-15(6-7-16)9-12(17)11-8-10(14)4-5-13(11)18-2/h4-5,8,16H,3,6-7,9H2,1-2H3
InChIKeyFHDVABQEHXILJI-UHFFFAOYSA-N
XLogP1.33
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

2-[ethyl(3-hydroxypropyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 113468792
1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propyl)amino]ethanone
CID 43795594
1-(5-fluoro-2-methoxyphenyl)-2-[propan-2-yl(propyl)amino]ethanone
CID 43795412
5-fluoro-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzamide
CID 110886002
2-[cyclopentyl(methyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43795234
2-[bis(2-hydroxyethyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone
CID 62050462
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350
1-(5-fluoro-2-methoxyphenyl)-2-[2-hydroxypropyl(methyl)amino]ethanone
CID 62334675
2-[benzyl(methyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 62051933
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone
CID 107481149
1-(5-fluoro-2-methoxyphenyl)hexan-1-one
CID 43161521
1-(5-fluoro-2-methoxyphenyl)-2-propylsulfonylethanone
CID 64641649

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone?
The IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone (CID 62052022) is 2-[ethyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[ethyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone?
The canonical SMILES for 2-[ethyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone is CCN(CCO)CC(=O)c1cc(F)ccc1OC.
What is the InChIKey of 2-[ethyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone?
The InChIKey is FHDVABQEHXILJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-3-15(6-7-16)9-12(17)11-8-10(14)4-5-13(11)18-2/h4-5,8,16H,3,6-7,9H2,1-2H3.
What are the key properties of 2-[ethyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone?
2-[ethyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone has a molecular weight of 255.29 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone is sourced from PubChem (CID 62052022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).