3-(5-fluoro-2-methylphenyl)-3-methyl-1-morpholin-4-ylpentan-1-one

C17H24FNO2 — CID 143024550

IUPAC3-(5-fluoro-2-methylphenyl)-3-methyl-1-morpholin-4-ylpentan-1-one
SMILESCCC(C)(CC(=O)N1CCOCC1)c1cc(F)ccc1C
InChIInChI=1S/C17H24FNO2/c1-4-17(3,15-11-14(18)6-5-13(15)2)12-16(20)19-7-9-21-10-8-19/h5-6,11H,4,7-10,12H2,1-3H3
InChIKeyDHHVYIHURWZMMK-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.05
Rot. Bonds4

About 3-(5-fluoro-2-methylphenyl)-3-methyl-1-morpholin-4-ylpentan-1-one

3-(5-fluoro-2-methylphenyl)-3-methyl-1-morpholin-4-ylpentan-1-one (PubChem CID 143024550) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 3-(5-fluoro-2-methylphenyl)-3-methyl-1-morpholin-4-ylpentan-1-one.

Molecular Properties

Compound Name3-(5-fluoro-2-methylphenyl)-3-methyl-1-morpholin-4-ylpentan-1-one
PubChem CID143024550
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name3-(5-fluoro-2-methylphenyl)-3-methyl-1-morpholin-4-ylpentan-1-one
SMILESCCC(C)(CC(=O)N1CCOCC1)c1cc(F)ccc1C
InChIInChI=1S/C17H24FNO2/c1-4-17(3,15-11-14(18)6-5-13(15)2)12-16(20)19-7-9-21-10-8-19/h5-6,11H,4,7-10,12H2,1-3H3
InChIKeyDHHVYIHURWZMMK-UHFFFAOYSA-N
XLogP3.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(5-fluoro-2-methylphenyl)-3-methyl-1-morpholin-4-ylpentan-1-one with MolForge

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Related Compounds

lithium;5-(5-fluoro-2-methoxyphenyl)-2,5-dimethylhexan-3-one;3-(5-fluoro-2-methoxyphenyl)-3-methyl-1-morpholin-4-ylbutan-1-one;propane
CID 157440883
N-(5-fluoro-2-methylphenyl)morpholine-4-carboxamide
CID 3250588
2-(2,4-difluoroanilino)-1-morpholin-4-ylethanone
CID 28582837
N-[2-(4-fluorophenyl)-2-hydroxypropyl]morpholine-4-carboxamide
CID 110291409
3-amino-3-methyl-1-morpholin-4-ylbutan-1-one
CID 64685110
2-amino-5-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 115597294
2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone
CID 63365946
4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 46577163
2-(2,4-difluorophenoxy)-1-morpholin-4-ylethanone
CID 17190869
3-[[(2S)-3-(4-fluorophenyl)-3-methylbutan-2-yl]amino]-1-morpholin-4-ylpropan-1-one
CID 99822392
3-[1-(3-fluoro-4-methylphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 115713460
(4-fluoro-2-methylphenyl)-(1,3-oxazolidin-3-yl)methanone
CID 130766014

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methylphenyl)-3-methyl-1-morpholin-4-ylpentan-1-one?
The IUPAC name of 3-(5-fluoro-2-methylphenyl)-3-methyl-1-morpholin-4-ylpentan-1-one (CID 143024550) is 3-(5-fluoro-2-methylphenyl)-3-methyl-1-morpholin-4-ylpentan-1-one.
What is the SMILES notation for 3-(5-fluoro-2-methylphenyl)-3-methyl-1-morpholin-4-ylpentan-1-one?
The canonical SMILES for 3-(5-fluoro-2-methylphenyl)-3-methyl-1-morpholin-4-ylpentan-1-one is CCC(C)(CC(=O)N1CCOCC1)c1cc(F)ccc1C.
What is the InChIKey of 3-(5-fluoro-2-methylphenyl)-3-methyl-1-morpholin-4-ylpentan-1-one?
The InChIKey is DHHVYIHURWZMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-4-17(3,15-11-14(18)6-5-13(15)2)12-16(20)19-7-9-21-10-8-19/h5-6,11H,4,7-10,12H2,1-3H3.
What are the key properties of 3-(5-fluoro-2-methylphenyl)-3-methyl-1-morpholin-4-ylpentan-1-one?
3-(5-fluoro-2-methylphenyl)-3-methyl-1-morpholin-4-ylpentan-1-one has a molecular weight of 293.38 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methylphenyl)-3-methyl-1-morpholin-4-ylpentan-1-one is sourced from PubChem (CID 143024550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).