1-(2-amino-4-fluorophenyl)-2-methylbutan-1-one

C11H14FNO — CID 66999008

IUPAC1-(2-amino-4-fluorophenyl)-2-methylbutan-1-one
SMILESCCC(C)C(=O)c1ccc(F)cc1N
InChIInChI=1S/C11H14FNO/c1-3-7(2)11(14)9-5-4-8(12)6-10(9)13/h4-7H,3,13H2,1-2H3
InChIKeyAZAIMQJKOXWPKN-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.64
Rot. Bonds3

About 1-(2-amino-4-fluorophenyl)-2-methylbutan-1-one

1-(2-amino-4-fluorophenyl)-2-methylbutan-1-one (PubChem CID 66999008) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 1-(2-amino-4-fluorophenyl)-2-methylbutan-1-one.

Molecular Properties

Compound Name1-(2-amino-4-fluorophenyl)-2-methylbutan-1-one
PubChem CID66999008
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name1-(2-amino-4-fluorophenyl)-2-methylbutan-1-one
SMILESCCC(C)C(=O)c1ccc(F)cc1N
InChIInChI=1S/C11H14FNO/c1-3-7(2)11(14)9-5-4-8(12)6-10(9)13/h4-7H,3,13H2,1-2H3
InChIKeyAZAIMQJKOXWPKN-UHFFFAOYSA-N
XLogP2.64
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-amino-4-fluorophenyl)-2-methylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-difluorophenyl)-2-methylbutan-1-one
CID 43160006
2-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 63110280
(2-amino-4-fluorophenyl)-(4-ethylphenyl)methanone
CID 113417691
2-amino-4-fluoro-N-(3-hydroxybutyl)benzamide
CID 64913148
1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylbutan-1-one
CID 123240524
(2S)-1-(2,4-dihydroxyphenyl)-2-methylbutan-1-one
CID 14716302
2-amino-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzamide
CID 63110252
2-amino-4-fluoro-N-hydroxybenzamide
CID 11593504
2-amino-N-(4-ethylphenyl)-4-fluorobenzamide
CID 63109707
2-amino-N-cyclopropyl-N-ethyl-4-fluorobenzamide
CID 63109697
2-amino-N-butan-2-yl-N-ethyl-5-fluorobenzamide
CID 43274590
1-(2-chloro-4-hydroxyphenyl)-2-methylbutan-1-one
CID 139652422

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-fluorophenyl)-2-methylbutan-1-one?
The IUPAC name of 1-(2-amino-4-fluorophenyl)-2-methylbutan-1-one (CID 66999008) is 1-(2-amino-4-fluorophenyl)-2-methylbutan-1-one.
What is the SMILES notation for 1-(2-amino-4-fluorophenyl)-2-methylbutan-1-one?
The canonical SMILES for 1-(2-amino-4-fluorophenyl)-2-methylbutan-1-one is CCC(C)C(=O)c1ccc(F)cc1N.
What is the InChIKey of 1-(2-amino-4-fluorophenyl)-2-methylbutan-1-one?
The InChIKey is AZAIMQJKOXWPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-3-7(2)11(14)9-5-4-8(12)6-10(9)13/h4-7H,3,13H2,1-2H3.
What are the key properties of 1-(2-amino-4-fluorophenyl)-2-methylbutan-1-one?
1-(2-amino-4-fluorophenyl)-2-methylbutan-1-one has a molecular weight of 195.24 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-fluorophenyl)-2-methylbutan-1-one is sourced from PubChem (CID 66999008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).