3-(5-ethyl-2-methylmorpholin-4-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one

C17H24FNO2 — CID 115996574

IUPAC3-(5-ethyl-2-methylmorpholin-4-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one
SMILESCCC1COC(C)CN1CC(C)C(=O)c1ccccc1F
InChIInChI=1S/C17H24FNO2/c1-4-14-11-21-13(3)10-19(14)9-12(2)17(20)15-7-5-6-8-16(15)18/h5-8,12-14H,4,9-11H2,1-3H3
InChIKeyATRSJFCYAATKBP-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.14
Rot. Bonds5

About 3-(5-ethyl-2-methylmorpholin-4-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one

3-(5-ethyl-2-methylmorpholin-4-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one (PubChem CID 115996574) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 3-(5-ethyl-2-methylmorpholin-4-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name3-(5-ethyl-2-methylmorpholin-4-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one
PubChem CID115996574
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name3-(5-ethyl-2-methylmorpholin-4-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one
SMILESCCC1COC(C)CN1CC(C)C(=O)c1ccccc1F
InChIInChI=1S/C17H24FNO2/c1-4-14-11-21-13(3)10-19(14)9-12(2)17(20)15-7-5-6-8-16(15)18/h5-8,12-14H,4,9-11H2,1-3H3
InChIKeyATRSJFCYAATKBP-UHFFFAOYSA-N
XLogP3.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 104960593
3-(3,5-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 115996491
(2,3-difluorophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 55100198
2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-fluorobenzoic acid
CID 107907776
N-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-2-fluoroaniline
CID 55089409
2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-6-fluorophenol
CID 112616028
methyl 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoate
CID 82969020
1-(2-fluorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
CID 10037066
2-(5-ethyl-2-methylmorpholin-4-yl)-1-(5-fluoro-2-hydroxyphenyl)ethanone
CID 61424347
1-(2-fluorophenyl)-2-methyl-3-morpholin-4-ylpropan-1-one
CID 13422049
3-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxy-2-methylpropanimidamide
CID 61424242
3-(5-ethyl-2-methylmorpholin-4-yl)-2-methyl-2-phenylpropan-1-ol
CID 62264445

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-2-methylmorpholin-4-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one?
The IUPAC name of 3-(5-ethyl-2-methylmorpholin-4-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one (CID 115996574) is 3-(5-ethyl-2-methylmorpholin-4-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one.
What is the SMILES notation for 3-(5-ethyl-2-methylmorpholin-4-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one?
The canonical SMILES for 3-(5-ethyl-2-methylmorpholin-4-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one is CCC1COC(C)CN1CC(C)C(=O)c1ccccc1F.
What is the InChIKey of 3-(5-ethyl-2-methylmorpholin-4-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one?
The InChIKey is ATRSJFCYAATKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-4-14-11-21-13(3)10-19(14)9-12(2)17(20)15-7-5-6-8-16(15)18/h5-8,12-14H,4,9-11H2,1-3H3.
What are the key properties of 3-(5-ethyl-2-methylmorpholin-4-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one?
3-(5-ethyl-2-methylmorpholin-4-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one has a molecular weight of 293.38 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-2-methylmorpholin-4-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one is sourced from PubChem (CID 115996574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).