2-(dimethylamino)-1-(2-fluoro-5-methylphenyl)-2-methylbutan-1-one

C14H20FNO — CID 79052290

IUPAC2-(dimethylamino)-1-(2-fluoro-5-methylphenyl)-2-methylbutan-1-one
SMILESCCC(C)(C(=O)c1cc(C)ccc1F)N(C)C
InChIInChI=1S/C14H20FNO/c1-6-14(3,16(4)5)13(17)11-9-10(2)7-8-12(11)15/h7-9H,6H2,1-5H3
InChIKeyYKVAJGGTFBJVRI-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.05
Rot. Bonds4

About 2-(dimethylamino)-1-(2-fluoro-5-methylphenyl)-2-methylbutan-1-one

2-(dimethylamino)-1-(2-fluoro-5-methylphenyl)-2-methylbutan-1-one (PubChem CID 79052290) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(2-fluoro-5-methylphenyl)-2-methylbutan-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-1-(2-fluoro-5-methylphenyl)-2-methylbutan-1-one
PubChem CID79052290
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-(dimethylamino)-1-(2-fluoro-5-methylphenyl)-2-methylbutan-1-one
SMILESCCC(C)(C(=O)c1cc(C)ccc1F)N(C)C
InChIInChI=1S/C14H20FNO/c1-6-14(3,16(4)5)13(17)11-9-10(2)7-8-12(11)15/h7-9H,6H2,1-5H3
InChIKeyYKVAJGGTFBJVRI-UHFFFAOYSA-N
XLogP3.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1-(2-fluoro-5-methylphenyl)-2-methylpropan-1-one
CID 116710090
2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanone
CID 62961335
2-ethoxy-2-ethyl-1-(2-fluoro-5-methylphenyl)butan-1-one
CID 116747123
N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-methylbenzamide
CID 79381420
2-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide
CID 64557392
2-(dimethylamino)-1-(2,5-dimethylphenyl)-2-ethylbutan-1-one
CID 79064819
N-(1-amino-2-methylbutan-2-yl)-2-fluoro-5-methylbenzamide
CID 64551129
1-(2-fluoro-5-methylphenyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456342
N-(2-cyanobutan-2-yl)-2-fluoro-5-methylbenzamide
CID 62514306
2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-one
CID 79063038
2-fluoro-5-methyl-N-(2-methylpentan-2-yl)benzamide
CID 115605934
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-fluoro-5-methylbenzamide
CID 103839903

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(2-fluoro-5-methylphenyl)-2-methylbutan-1-one?
The IUPAC name of 2-(dimethylamino)-1-(2-fluoro-5-methylphenyl)-2-methylbutan-1-one (CID 79052290) is 2-(dimethylamino)-1-(2-fluoro-5-methylphenyl)-2-methylbutan-1-one.
What is the SMILES notation for 2-(dimethylamino)-1-(2-fluoro-5-methylphenyl)-2-methylbutan-1-one?
The canonical SMILES for 2-(dimethylamino)-1-(2-fluoro-5-methylphenyl)-2-methylbutan-1-one is CCC(C)(C(=O)c1cc(C)ccc1F)N(C)C.
What is the InChIKey of 2-(dimethylamino)-1-(2-fluoro-5-methylphenyl)-2-methylbutan-1-one?
The InChIKey is YKVAJGGTFBJVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-6-14(3,16(4)5)13(17)11-9-10(2)7-8-12(11)15/h7-9H,6H2,1-5H3.
What are the key properties of 2-(dimethylamino)-1-(2-fluoro-5-methylphenyl)-2-methylbutan-1-one?
2-(dimethylamino)-1-(2-fluoro-5-methylphenyl)-2-methylbutan-1-one has a molecular weight of 237.32 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 2-(dimethylamino)-1-(2-fluoro-5-methylphenyl)-2-methylbutan-1-one is sourced from PubChem (CID 79052290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).