2-amino-1-(4-fluoro-2-methylphenyl)-2-methylbutan-1-one

C12H16FNO — CID 116590511

IUPAC2-amino-1-(4-fluoro-2-methylphenyl)-2-methylbutan-1-one
SMILESCCC(C)(N)C(=O)c1ccc(F)cc1C
InChIInChI=1S/C12H16FNO/c1-4-12(3,14)11(15)10-6-5-9(13)7-8(10)2/h5-7H,4,14H2,1-3H3
InChIKeyXFEGEUQJZODQHA-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.44
Rot. Bonds3

About 2-amino-1-(4-fluoro-2-methylphenyl)-2-methylbutan-1-one

2-amino-1-(4-fluoro-2-methylphenyl)-2-methylbutan-1-one (PubChem CID 116590511) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-amino-1-(4-fluoro-2-methylphenyl)-2-methylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-fluoro-2-methylphenyl)-2-methylbutan-1-one
PubChem CID116590511
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name2-amino-1-(4-fluoro-2-methylphenyl)-2-methylbutan-1-one
SMILESCCC(C)(N)C(=O)c1ccc(F)cc1C
InChIInChI=1S/C12H16FNO/c1-4-12(3,14)11(15)10-6-5-9(13)7-8(10)2/h5-7H,4,14H2,1-3H3
InChIKeyXFEGEUQJZODQHA-UHFFFAOYSA-N
XLogP2.44
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(2,4-difluorophenyl)-2-methylbutan-1-one
CID 116590314
2-amino-1-(4-chloro-2-fluorophenyl)-2-methylbutan-1-one
CID 116590524
4-amino-1-(4-fluoro-2-methylphenyl)-4-methylpentan-1-one
CID 116571504
2-amino-N-(5-fluoro-2-methylphenyl)-2-methylbutanamide
CID 79796953
2-amino-1-(3,5-difluorophenyl)-2-methylbutan-1-one
CID 116590471
2-amino-1-(4-fluoro-2-methylphenyl)-3,3-dimethylbutan-1-one
CID 116611598
2-amino-1-(3,4-difluorophenyl)-2-methylbutan-1-one
CID 116590230
4-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-2-methylbenzamide
CID 75519360
1-(4-fluoro-2-methylphenyl)ethanone
CID 3494772
1-(4-fluoro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105095672
2-amino-1-(2,5-dichlorophenyl)-2-methylbutan-1-one
CID 116590355
4,4,4-trifluoro-1-(4-fluoro-2-methylphenyl)butan-1-one
CID 79954422

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-fluoro-2-methylphenyl)-2-methylbutan-1-one?
The IUPAC name of 2-amino-1-(4-fluoro-2-methylphenyl)-2-methylbutan-1-one (CID 116590511) is 2-amino-1-(4-fluoro-2-methylphenyl)-2-methylbutan-1-one.
What is the SMILES notation for 2-amino-1-(4-fluoro-2-methylphenyl)-2-methylbutan-1-one?
The canonical SMILES for 2-amino-1-(4-fluoro-2-methylphenyl)-2-methylbutan-1-one is CCC(C)(N)C(=O)c1ccc(F)cc1C.
What is the InChIKey of 2-amino-1-(4-fluoro-2-methylphenyl)-2-methylbutan-1-one?
The InChIKey is XFEGEUQJZODQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-4-12(3,14)11(15)10-6-5-9(13)7-8(10)2/h5-7H,4,14H2,1-3H3.
What are the key properties of 2-amino-1-(4-fluoro-2-methylphenyl)-2-methylbutan-1-one?
2-amino-1-(4-fluoro-2-methylphenyl)-2-methylbutan-1-one has a molecular weight of 209.26 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-fluoro-2-methylphenyl)-2-methylbutan-1-one is sourced from PubChem (CID 116590511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).