3-(diethylamino)-3-ethyl-1-(5-fluoro-2-methylphenyl)pentan-2-one

C18H28FNO — CID 105373295

IUPAC3-(diethylamino)-3-ethyl-1-(5-fluoro-2-methylphenyl)pentan-2-one
SMILESCCN(CC)C(CC)(CC)C(=O)Cc1cc(F)ccc1C
InChIInChI=1S/C18H28FNO/c1-6-18(7-2,20(8-3)9-4)17(21)13-15-12-16(19)11-10-14(15)5/h10-12H,6-9,13H2,1-5H3
InChIKeyVULHVDFDDPZDCD-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.15
Rot. Bonds8

About 3-(diethylamino)-3-ethyl-1-(5-fluoro-2-methylphenyl)pentan-2-one

3-(diethylamino)-3-ethyl-1-(5-fluoro-2-methylphenyl)pentan-2-one (PubChem CID 105373295) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is 3-(diethylamino)-3-ethyl-1-(5-fluoro-2-methylphenyl)pentan-2-one.

Molecular Properties

Compound Name3-(diethylamino)-3-ethyl-1-(5-fluoro-2-methylphenyl)pentan-2-one
PubChem CID105373295
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name3-(diethylamino)-3-ethyl-1-(5-fluoro-2-methylphenyl)pentan-2-one
SMILESCCN(CC)C(CC)(CC)C(=O)Cc1cc(F)ccc1C
InChIInChI=1S/C18H28FNO/c1-6-18(7-2,20(8-3)9-4)17(21)13-15-12-16(19)11-10-14(15)5/h10-12H,6-9,13H2,1-5H3
InChIKeyVULHVDFDDPZDCD-UHFFFAOYSA-N
XLogP4.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-fluorophenyl)-3-(dimethylamino)-3-ethylpentan-2-one
CID 79061427
1-chloro-1,1-difluoro-3-(5-fluoro-2-methylphenyl)propan-2-one
CID 105373359
1-(2-chloro-5-fluorophenyl)-2-(diethylamino)-2-ethylbutan-1-one
CID 105394304
1-(2-chloro-4-methylphenyl)-3-(diethylamino)-3-ethylpentan-2-one
CID 106867008
2-[(5-fluoro-2-methylphenyl)methyl]-2-methylbutanoic acid
CID 105372510
2-(diethylamino)-1-(5-fluoro-2-methylphenyl)-2-methylbutan-1-one
CID 79063557
1-(5-fluoro-2-methylphenyl)but-3-en-2-one
CID 103453632
1-[1-(diethylamino)cyclopentyl]-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373297
1-(4-ethylphenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373157
3-(5-fluoro-2-methylphenyl)-2-hydroxy-2-methylpropanal
CID 105372913
1-(2,5-difluorophenyl)-3,3-dimethylpentan-2-one
CID 114964075
1-(5-ethylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376823

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-3-ethyl-1-(5-fluoro-2-methylphenyl)pentan-2-one?
The IUPAC name of 3-(diethylamino)-3-ethyl-1-(5-fluoro-2-methylphenyl)pentan-2-one (CID 105373295) is 3-(diethylamino)-3-ethyl-1-(5-fluoro-2-methylphenyl)pentan-2-one.
What is the SMILES notation for 3-(diethylamino)-3-ethyl-1-(5-fluoro-2-methylphenyl)pentan-2-one?
The canonical SMILES for 3-(diethylamino)-3-ethyl-1-(5-fluoro-2-methylphenyl)pentan-2-one is CCN(CC)C(CC)(CC)C(=O)Cc1cc(F)ccc1C.
What is the InChIKey of 3-(diethylamino)-3-ethyl-1-(5-fluoro-2-methylphenyl)pentan-2-one?
The InChIKey is VULHVDFDDPZDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-6-18(7-2,20(8-3)9-4)17(21)13-15-12-16(19)11-10-14(15)5/h10-12H,6-9,13H2,1-5H3.
What are the key properties of 3-(diethylamino)-3-ethyl-1-(5-fluoro-2-methylphenyl)pentan-2-one?
3-(diethylamino)-3-ethyl-1-(5-fluoro-2-methylphenyl)pentan-2-one has a molecular weight of 293.43 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-3-ethyl-1-(5-fluoro-2-methylphenyl)pentan-2-one is sourced from PubChem (CID 105373295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).