2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-one

C16H24FNO — CID 79063038

IUPAC2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-one
SMILESCCN(CC)C(C)(CC)C(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C16H24FNO/c1-6-16(5,18(7-2)8-3)15(19)13-9-10-14(17)12(4)11-13/h9-11H,6-8H2,1-5H3
InChIKeyDXPPINDTMRBBEY-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.83
Rot. Bonds6

About 2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-one

2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-one (PubChem CID 79063038) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-one.

Molecular Properties

Compound Name2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-one
PubChem CID79063038
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-one
SMILESCCN(CC)C(C)(CC)C(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C16H24FNO/c1-6-16(5,18(7-2)8-3)15(19)13-9-10-14(17)12(4)11-13/h9-11H,6-8H2,1-5H3
InChIKeyDXPPINDTMRBBEY-UHFFFAOYSA-N
XLogP3.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(diethylamino)-1-(5-fluoro-2-methylphenyl)-2-methylbutan-1-one
CID 79063557
2-(diethylamino)-1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-one
CID 107128345
(4-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone
CID 66245563
2-(diethylamino)-2-methyl-1-(3-propylphenyl)butan-1-one
CID 116543338
2-(dimethylamino)-1-(2-fluoro-5-methylphenyl)-2-methylbutan-1-one
CID 79052290
1-(4-fluoro-3-methylphenyl)-2-methyl-2-phenylpropan-1-one
CID 63084504
1-(3-cyclobutylphenyl)-2-(diethylamino)-2-methylbutan-1-one
CID 114601959
4-fluoro-3-methyl-N,N-dipropylbenzamide
CID 63212171
N-ethyl-4-fluoro-N-(4-fluorophenyl)-3-methylbenzamide
CID 63213159
N-(2-ethoxyethyl)-N-ethyl-4-fluoro-3-methylbenzamide
CID 63692679
1-(4-fluoro-3-methylphenyl)-3-methoxy-3-methylbutan-1-one
CID 103023187
2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-ol
CID 79063565

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-one?
The IUPAC name of 2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-one (CID 79063038) is 2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-one.
What is the SMILES notation for 2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-one?
The canonical SMILES for 2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-one is CCN(CC)C(C)(CC)C(=O)c1ccc(F)c(C)c1.
What is the InChIKey of 2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-one?
The InChIKey is DXPPINDTMRBBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-6-16(5,18(7-2)8-3)15(19)13-9-10-14(17)12(4)11-13/h9-11H,6-8H2,1-5H3.
What are the key properties of 2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-one?
2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-one has a molecular weight of 265.37 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-one is sourced from PubChem (CID 79063038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).