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

C15H22FNO — CID 107128345

IUPAC2-(diethylamino)-1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-one
SMILESCCN(CC)C(C)(C)C(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C15H22FNO/c1-6-17(7-2)15(4,5)14(18)12-9-8-11(3)13(16)10-12/h8-10H,6-7H2,1-5H3
InChIKeyYRXDQOODWNNVHS-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.44
Rot. Bonds5

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

2-(diethylamino)-1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-one (PubChem CID 107128345) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-(diethylamino)-1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(diethylamino)-1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-one
PubChem CID107128345
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name2-(diethylamino)-1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-one
SMILESCCN(CC)C(C)(C)C(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C15H22FNO/c1-6-17(7-2)15(4,5)14(18)12-9-8-11(3)13(16)10-12/h8-10H,6-7H2,1-5H3
InChIKeyYRXDQOODWNNVHS-UHFFFAOYSA-N
XLogP3.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(3-fluoro-4-methylphenyl)-2-hydroxybutan-1-one
CID 107128454
2-ethoxy-1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-one
CID 107128425
1-(4-chlorophenyl)-2-(diethylamino)-2-methylpropan-1-one
CID 79054221
2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethanone
CID 2759044
2-(diethylamino)-2-methyl-1-naphthalen-2-ylpropan-1-one
CID 79053945
2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-one
CID 79063038
2-(diethylamino)-2-methyl-1-(2-methylquinolin-6-yl)propan-1-one
CID 81196399
2-ethyl-1-(3-fluoro-4-methylphenyl)-2-pyrrolidin-1-ylbutan-1-one
CID 107128353
N-(1-bromo-2-methylbutan-2-yl)-3-fluoro-4-methylbenzamide
CID 114314455
1-(3-fluoro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 107129938
3-fluoro-N,4-dimethyl-N-(3,3,3-trifluoropropyl)benzamide
CID 86833486
ethyl 2-[(3-fluoro-4-methylbenzoyl)-methylamino]acetate
CID 55003691

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-one?
The IUPAC name of 2-(diethylamino)-1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-one (CID 107128345) is 2-(diethylamino)-1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-one.
What is the SMILES notation for 2-(diethylamino)-1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-one?
The canonical SMILES for 2-(diethylamino)-1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-one is CCN(CC)C(C)(C)C(=O)c1ccc(C)c(F)c1.
What is the InChIKey of 2-(diethylamino)-1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-one?
The InChIKey is YRXDQOODWNNVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-6-17(7-2)15(4,5)14(18)12-9-8-11(3)13(16)10-12/h8-10H,6-7H2,1-5H3.
What are the key properties of 2-(diethylamino)-1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-one?
2-(diethylamino)-1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-one has a molecular weight of 251.34 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 107128345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).