3-amino-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one

C12H16FNO — CID 106883011

IUPAC3-amino-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one
SMILESCc1cc(C)c(C(=O)C(C)CN)c(F)c1
InChIInChI=1S/C12H16FNO/c1-7-4-8(2)11(10(13)5-7)12(15)9(3)6-14/h4-5,9H,6,14H2,1-3H3
InChIKeyUQNPDIYYECAOOT-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.22
Rot. Bonds3

About 3-amino-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one

3-amino-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one (PubChem CID 106883011) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 3-amino-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one
PubChem CID106883011
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name3-amino-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one
SMILESCc1cc(C)c(C(=O)C(C)CN)c(F)c1
InChIInChI=1S/C12H16FNO/c1-7-4-8(2)11(10(13)5-7)12(15)9(3)6-14/h4-5,9H,6,14H2,1-3H3
InChIKeyUQNPDIYYECAOOT-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-1-(2-fluoro-4,6-dimethylphenyl)pentan-1-one
CID 106883040
3-amino-2-hydroxy-1-(2,4,6-trimethylphenyl)propan-1-one
CID 116826580
1-(2-fluoro-4,6-dimethylphenyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 106880988
2-methyl-1-(2,4,6-trimethylphenyl)butan-1-one
CID 43159904
1-(2-fluoro-4,6-dimethylphenyl)propan-1-one
CID 106880723
2-(aminomethyl)-2-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-one
CID 106883129
2-methyl-1-(2,4,6-trifluorophenyl)pentan-1-one
CID 43160551
(2R)-2-amino-1-(2,4,6-trimethylphenyl)propan-1-one
CID 868051
(2-fluoro-4,6-dimethylphenyl)-(2,4,6-trifluorophenyl)methanone
CID 106883314
2-(4-aminophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one
CID 106883112
1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanone
CID 106880740
1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-2-phenylethanone
CID 106880956

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one?
The IUPAC name of 3-amino-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one (CID 106883011) is 3-amino-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one.
What is the SMILES notation for 3-amino-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one?
The canonical SMILES for 3-amino-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one is Cc1cc(C)c(C(=O)C(C)CN)c(F)c1.
What is the InChIKey of 3-amino-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one?
The InChIKey is UQNPDIYYECAOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-7-4-8(2)11(10(13)5-7)12(15)9(3)6-14/h4-5,9H,6,14H2,1-3H3.
What are the key properties of 3-amino-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one?
3-amino-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one has a molecular weight of 209.26 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 106883011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).