3-amino-1-(3,4-difluorophenyl)-2-methyl-3-phenylpropan-1-one

C16H15F2NO — CID 116598880

IUPAC3-amino-1-(3,4-difluorophenyl)-2-methyl-3-phenylpropan-1-one
SMILESCC(C(=O)c1ccc(F)c(F)c1)C(N)c1ccccc1
InChIInChI=1S/C16H15F2NO/c1-10(15(19)11-5-3-2-4-6-11)16(20)12-7-8-13(17)14(18)9-12/h2-10,15H,19H2,1H3
InChIKeyOEQZUITWZAWLQG-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.48
Rot. Bonds4

About 3-amino-1-(3,4-difluorophenyl)-2-methyl-3-phenylpropan-1-one

3-amino-1-(3,4-difluorophenyl)-2-methyl-3-phenylpropan-1-one (PubChem CID 116598880) has the molecular formula C16H15F2NO and a molecular weight of 275.30 g/mol. Its IUPAC name is 3-amino-1-(3,4-difluorophenyl)-2-methyl-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-(3,4-difluorophenyl)-2-methyl-3-phenylpropan-1-one
PubChem CID116598880
Molecular FormulaC16H15F2NO
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC Name3-amino-1-(3,4-difluorophenyl)-2-methyl-3-phenylpropan-1-one
SMILESCC(C(=O)c1ccc(F)c(F)c1)C(N)c1ccccc1
InChIInChI=1S/C16H15F2NO/c1-10(15(19)11-5-3-2-4-6-11)16(20)12-7-8-13(17)14(18)9-12/h2-10,15H,19H2,1H3
InChIKeyOEQZUITWZAWLQG-UHFFFAOYSA-N
XLogP3.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-amino-1-(3,4-difluorophenyl)-2-methyl-3-phenylpropan-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-(3-chlorophenyl)-2-methyl-3-phenylpropan-1-one
CID 116599007
3-amino-1-(5-bromo-2-fluorophenyl)-2-methyl-3-phenylpropan-1-one
CID 116599000
(2R,3S)-3-amino-1-(4-methoxyphenyl)-2-methyl-3-phenylpropan-1-one
CID 10635675
3-amino-1-(2-chloro-5-fluorophenyl)-2-methyl-3-phenylpropan-1-one
CID 105396542
3-amino-N-[1-(2,5-difluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide
CID 119717498
1-(3,4-difluorophenyl)-2-phenylmethoxypropan-1-one
CID 62030770
2-amino-1-(3,4-difluorophenyl)-2-phenylethanol
CID 62718129
2-(aminomethyl)-1-(3,4-difluorophenyl)-3-methylbutan-1-one
CID 116573820
(1S)-1-(3,4-difluorophenyl)ethanamine;2-hydroxy-2-phenylacetic acid
CID 174417631
6-amino-1-(3,4-difluorophenyl)-2-methylheptan-1-one
CID 116574127
4-(3,4-difluorophenyl)-4-oxo-3-(propan-2-ylamino)butanoic acid
CID 82322868
(1-oxo-1-phenylpropan-2-yl) 3,4-difluorobenzoate
CID 55375913

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,4-difluorophenyl)-2-methyl-3-phenylpropan-1-one?
The IUPAC name of 3-amino-1-(3,4-difluorophenyl)-2-methyl-3-phenylpropan-1-one (CID 116598880) is 3-amino-1-(3,4-difluorophenyl)-2-methyl-3-phenylpropan-1-one.
What is the SMILES notation for 3-amino-1-(3,4-difluorophenyl)-2-methyl-3-phenylpropan-1-one?
The canonical SMILES for 3-amino-1-(3,4-difluorophenyl)-2-methyl-3-phenylpropan-1-one is CC(C(=O)c1ccc(F)c(F)c1)C(N)c1ccccc1.
What is the InChIKey of 3-amino-1-(3,4-difluorophenyl)-2-methyl-3-phenylpropan-1-one?
The InChIKey is OEQZUITWZAWLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO/c1-10(15(19)11-5-3-2-4-6-11)16(20)12-7-8-13(17)14(18)9-12/h2-10,15H,19H2,1H3.
What are the key properties of 3-amino-1-(3,4-difluorophenyl)-2-methyl-3-phenylpropan-1-one?
3-amino-1-(3,4-difluorophenyl)-2-methyl-3-phenylpropan-1-one has a molecular weight of 275.30 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,4-difluorophenyl)-2-methyl-3-phenylpropan-1-one is sourced from PubChem (CID 116598880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).