3-amino-1-(2-fluoro-5-methylphenyl)-3-phenylpropan-1-one

C16H16FNO — CID 116553012

IUPAC3-amino-1-(2-fluoro-5-methylphenyl)-3-phenylpropan-1-one
SMILESCc1ccc(F)c(C(=O)CC(N)c2ccccc2)c1
InChIInChI=1S/C16H16FNO/c1-11-7-8-14(17)13(9-11)16(19)10-15(18)12-5-3-2-4-6-12/h2-9,15H,10,18H2,1H3
InChIKeyGGEMZXFSEGZCAN-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.41
Rot. Bonds4

About 3-amino-1-(2-fluoro-5-methylphenyl)-3-phenylpropan-1-one

3-amino-1-(2-fluoro-5-methylphenyl)-3-phenylpropan-1-one (PubChem CID 116553012) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 3-amino-1-(2-fluoro-5-methylphenyl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-(2-fluoro-5-methylphenyl)-3-phenylpropan-1-one
PubChem CID116553012
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name3-amino-1-(2-fluoro-5-methylphenyl)-3-phenylpropan-1-one
SMILESCc1ccc(F)c(C(=O)CC(N)c2ccccc2)c1
InChIInChI=1S/C16H16FNO/c1-11-7-8-14(17)13(9-11)16(19)10-15(18)12-5-3-2-4-6-12/h2-9,15H,10,18H2,1H3
InChIKeyGGEMZXFSEGZCAN-UHFFFAOYSA-N
XLogP3.41
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-amino-1-(2-fluoro-5-methylphenyl)-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-N-(2-fluoro-4-methylphenyl)-3-phenylpropanamide
CID 43114261
3-amino-1-(2-methoxyphenyl)-3-phenylpropan-1-one
CID 116553157
3-(aminomethyl)-1-(2-fluoro-5-methylphenyl)-5-methylhexan-1-one
CID 116576861
3-amino-N-[(2,4-dimethylphenyl)methyl]-3-phenylpropanamide
CID 119949663
2-(2-chlorophenyl)-1-(2-fluoro-5-methylphenyl)ethanone
CID 62516230
2-fluoro-5-methyl-N-(3-phenylbutyl)benzamide
CID 62947552
3-amino-N-(2,4-dimethylphenyl)-3-phenylpropanamide
CID 24693280
2-(2,6-dimethylphenyl)-1-(2-fluoro-5-methylphenyl)ethanone
CID 115792624
3-amino-N-(3,5-dimethylphenyl)-N-methyl-3-phenylpropanamide
CID 119950423
3-amino-N-(2,6-difluoro-3-methylphenyl)-3-phenylpropanamide
CID 82801709
3-amino-N,N-dimethyl-3-phenylpropanamide
CID 24691874
1-(2-fluoro-5-methylphenyl)-2-methylsulfonylethanone
CID 115604643

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-fluoro-5-methylphenyl)-3-phenylpropan-1-one?
The IUPAC name of 3-amino-1-(2-fluoro-5-methylphenyl)-3-phenylpropan-1-one (CID 116553012) is 3-amino-1-(2-fluoro-5-methylphenyl)-3-phenylpropan-1-one.
What is the SMILES notation for 3-amino-1-(2-fluoro-5-methylphenyl)-3-phenylpropan-1-one?
The canonical SMILES for 3-amino-1-(2-fluoro-5-methylphenyl)-3-phenylpropan-1-one is Cc1ccc(F)c(C(=O)CC(N)c2ccccc2)c1.
What is the InChIKey of 3-amino-1-(2-fluoro-5-methylphenyl)-3-phenylpropan-1-one?
The InChIKey is GGEMZXFSEGZCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-11-7-8-14(17)13(9-11)16(19)10-15(18)12-5-3-2-4-6-12/h2-9,15H,10,18H2,1H3.
What are the key properties of 3-amino-1-(2-fluoro-5-methylphenyl)-3-phenylpropan-1-one?
3-amino-1-(2-fluoro-5-methylphenyl)-3-phenylpropan-1-one has a molecular weight of 257.31 g/mol, XLogP of 3.41, 4 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-5-methylphenyl)-3-phenylpropan-1-one is sourced from PubChem (CID 116553012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).