4-amino-1-(2-fluorophenyl)-3-methylbutan-1-one

C11H14FNO — CID 116596540

IUPAC4-amino-1-(2-fluorophenyl)-3-methylbutan-1-one
SMILESCC(CN)CC(=O)c1ccccc1F
InChIInChI=1S/C11H14FNO/c1-8(7-13)6-11(14)9-4-2-3-5-10(9)12/h2-5,8H,6-7,13H2,1H3
InChIKeyRSHHMLHLVABCSD-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.99
Rot. Bonds4

About 4-amino-1-(2-fluorophenyl)-3-methylbutan-1-one

4-amino-1-(2-fluorophenyl)-3-methylbutan-1-one (PubChem CID 116596540) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 4-amino-1-(2-fluorophenyl)-3-methylbutan-1-one.

Molecular Properties

Compound Name4-amino-1-(2-fluorophenyl)-3-methylbutan-1-one
PubChem CID116596540
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name4-amino-1-(2-fluorophenyl)-3-methylbutan-1-one
SMILESCC(CN)CC(=O)c1ccccc1F
InChIInChI=1S/C11H14FNO/c1-8(7-13)6-11(14)9-4-2-3-5-10(9)12/h2-5,8H,6-7,13H2,1H3
InChIKeyRSHHMLHLVABCSD-UHFFFAOYSA-N
XLogP1.99
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-amino-1-(2-fluorophenyl)-3-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

3-amino-1-(2-fluorophenyl)butan-1-one
CID 81462850
4-amino-1-(2,6-difluorophenyl)-3-methylbutan-1-one
CID 116596554
4-amino-1-(2-bromophenyl)-3-methylbutan-1-one
CID 116916169
4-amino-3-methyl-1-(2,3,4-trifluorophenyl)butan-1-one
CID 116596674
4-amino-1-(5-bromo-2-fluorophenyl)-3-methylbutan-1-one
CID 116596644
4-amino-1-(2,3-difluoro-4-methylphenyl)-3-methylbutan-1-one
CID 107514965
4-amino-1-(2,5-dichlorophenyl)-3-methylbutan-1-one
CID 116596589
3-(aminomethyl)-1-(2,3-difluorophenyl)-5-methylhexan-1-one
CID 116576806
4-amino-1-(1H-indol-3-yl)-3-methylbutan-1-one
CID 116916106
4-amino-1-(1-benzofuran-3-yl)-3-methylbutan-1-one
CID 116916164
1-(2-fluorophenyl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43219744
4-amino-1-(2-fluorophenyl)-3,3-dimethylbutan-1-one
CID 116916536

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-fluorophenyl)-3-methylbutan-1-one?
The IUPAC name of 4-amino-1-(2-fluorophenyl)-3-methylbutan-1-one (CID 116596540) is 4-amino-1-(2-fluorophenyl)-3-methylbutan-1-one.
What is the SMILES notation for 4-amino-1-(2-fluorophenyl)-3-methylbutan-1-one?
The canonical SMILES for 4-amino-1-(2-fluorophenyl)-3-methylbutan-1-one is CC(CN)CC(=O)c1ccccc1F.
What is the InChIKey of 4-amino-1-(2-fluorophenyl)-3-methylbutan-1-one?
The InChIKey is RSHHMLHLVABCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-8(7-13)6-11(14)9-4-2-3-5-10(9)12/h2-5,8H,6-7,13H2,1H3.
What are the key properties of 4-amino-1-(2-fluorophenyl)-3-methylbutan-1-one?
4-amino-1-(2-fluorophenyl)-3-methylbutan-1-one has a molecular weight of 195.24 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-fluorophenyl)-3-methylbutan-1-one is sourced from PubChem (CID 116596540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).