1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methoxyethylamino)ethanone

C13H18FNO2 — CID 106883090

IUPAC1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methoxyethylamino)ethanone
SMILESCOCCNCC(=O)c1c(C)cc(C)cc1F
InChIInChI=1S/C13H18FNO2/c1-9-6-10(2)13(11(14)7-9)12(16)8-15-4-5-17-3/h6-7,15H,4-5,8H2,1-3H3
InChIKeyKQSDGTZJCINJFK-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.86
Rot. Bonds6

About 1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methoxyethylamino)ethanone

1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methoxyethylamino)ethanone (PubChem CID 106883090) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methoxyethylamino)ethanone.

Molecular Properties

Compound Name1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methoxyethylamino)ethanone
PubChem CID106883090
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methoxyethylamino)ethanone
SMILESCOCCNCC(=O)c1c(C)cc(C)cc1F
InChIInChI=1S/C13H18FNO2/c1-9-6-10(2)13(11(14)7-9)12(16)8-15-4-5-17-3/h6-7,15H,4-5,8H2,1-3H3
InChIKeyKQSDGTZJCINJFK-UHFFFAOYSA-N
XLogP1.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanone
CID 106880740
1-(2-fluoro-4,6-dimethylphenyl)propan-1-one
CID 106880723
1-(2-fluoro-4,6-dimethylphenyl)-3-methoxy-3-methylbutan-1-one
CID 106883351
3-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)propan-1-one
CID 106880998
2-(2-methoxyethylamino)-N-[(2,4,6-trimethylphenyl)methyl]acetamide;hydrochloride
CID 119716132
2-(2-methoxyethylamino)-N-(3,4,5-trifluorophenyl)acetamide
CID 79281586
1-(3-amino-4-fluorophenyl)-2-(2-methoxyethylamino)ethanone
CID 98014554
2-methoxy-N-(2-methoxyethyl)-4,6-dimethylbenzamide
CID 110764934
N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 112722635
1-(2-chloro-5-fluorophenyl)-2-(2-methoxyethylamino)ethanone
CID 105396519
N-(3-bromo-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide
CID 115738296
N-(2,4-difluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119673290

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methoxyethylamino)ethanone?
The IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methoxyethylamino)ethanone (CID 106883090) is 1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methoxyethylamino)ethanone.
What is the SMILES notation for 1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methoxyethylamino)ethanone?
The canonical SMILES for 1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methoxyethylamino)ethanone is COCCNCC(=O)c1c(C)cc(C)cc1F.
What is the InChIKey of 1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methoxyethylamino)ethanone?
The InChIKey is KQSDGTZJCINJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-9-6-10(2)13(11(14)7-9)12(16)8-15-4-5-17-3/h6-7,15H,4-5,8H2,1-3H3.
What are the key properties of 1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methoxyethylamino)ethanone?
1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methoxyethylamino)ethanone has a molecular weight of 239.29 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methoxyethylamino)ethanone is sourced from PubChem (CID 106883090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).