2-[ethyl(3-hydroxypropyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone

C14H20FNO3 — CID 113468792

IUPAC2-[ethyl(3-hydroxypropyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
SMILESCCN(CCCO)CC(=O)c1cc(F)ccc1OC
InChIInChI=1S/C14H20FNO3/c1-3-16(7-4-8-17)10-13(18)12-9-11(15)5-6-14(12)19-2/h5-6,9,17H,3-4,7-8,10H2,1-2H3
InChIKeyFQZASMFSJXXNNU-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.72
Rot. Bonds8

About 2-[ethyl(3-hydroxypropyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone

2-[ethyl(3-hydroxypropyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone (PubChem CID 113468792) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-[ethyl(3-hydroxypropyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[ethyl(3-hydroxypropyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
PubChem CID113468792
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name2-[ethyl(3-hydroxypropyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
SMILESCCN(CCCO)CC(=O)c1cc(F)ccc1OC
InChIInChI=1S/C14H20FNO3/c1-3-16(7-4-8-17)10-13(18)12-9-11(15)5-6-14(12)19-2/h5-6,9,17H,3-4,7-8,10H2,1-2H3
InChIKeyFQZASMFSJXXNNU-UHFFFAOYSA-N
XLogP1.72
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 62052022
1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propyl)amino]ethanone
CID 43795594
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350
1-(5-fluoro-2-methoxyphenyl)-2-[propan-2-yl(propyl)amino]ethanone
CID 43795412
2-[cyclopentyl(methyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43795234
1-(5-fluoro-2-methoxyphenyl)hexan-1-one
CID 43161521
5-fluoro-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzamide
CID 110886002
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
1-(5-fluoro-2-methoxyphenyl)-2-propylsulfonylethanone
CID 64641649
2-[[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 60680062
N-(3-chloro-4-methoxyphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide
CID 115669592

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(3-hydroxypropyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone?
The IUPAC name of 2-[ethyl(3-hydroxypropyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone (CID 113468792) is 2-[ethyl(3-hydroxypropyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[ethyl(3-hydroxypropyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone?
The canonical SMILES for 2-[ethyl(3-hydroxypropyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone is CCN(CCCO)CC(=O)c1cc(F)ccc1OC.
What is the InChIKey of 2-[ethyl(3-hydroxypropyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone?
The InChIKey is FQZASMFSJXXNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-3-16(7-4-8-17)10-13(18)12-9-11(15)5-6-14(12)19-2/h5-6,9,17H,3-4,7-8,10H2,1-2H3.
What are the key properties of 2-[ethyl(3-hydroxypropyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone?
2-[ethyl(3-hydroxypropyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone has a molecular weight of 269.32 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(3-hydroxypropyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone is sourced from PubChem (CID 113468792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).