1-(4-aminophenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one

C16H14F3NO — CID 159232432

IUPAC1-(4-aminophenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESNc1ccc(C(=O)CCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H14F3NO/c17-16(18,19)13-6-1-11(2-7-13)3-10-15(21)12-4-8-14(20)9-5-12/h1-2,4-9H,3,10,20H2
InChIKeyKTBPLAIGPDQUMT-UHFFFAOYSA-N
MW293.29 g/mol
LogP4.10
Rot. Bonds4

About 1-(4-aminophenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one

1-(4-aminophenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 159232432) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
PubChem CID159232432
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC Name1-(4-aminophenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESNc1ccc(C(=O)CCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H14F3NO/c17-16(18,19)13-6-1-11(2-7-13)3-10-15(21)12-4-8-14(20)9-5-12/h1-2,4-9H,3,10,20H2
InChIKeyKTBPLAIGPDQUMT-UHFFFAOYSA-N
XLogP4.10
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-aminophenyl)-3-[4-(trifluoromethyl)phenyl]propan-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-[4-(trifluoromethyl)phenyl]-3-(3,4,5-trifluorophenyl)propan-1-one
CID 24726631
4-oxo-4-[4-(trifluoromethyl)phenyl]butanamide
CID 142703913
4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzoic acid
CID 151091518
1-[4-(aminomethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 116548236
3-(4-aminophenyl)-1-(3,5-difluorophenyl)propan-1-one
CID 116605567
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 68769341
1-(3-fluoro-4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 53415618
1-(2-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 134109996
1-(4-chloro-3-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 68768215
2-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 63411309
1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-1-one
CID 105093699
5-[4-(trifluoromethyl)phenyl]pentanamide
CID 162568096

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 1-(4-aminophenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one (CID 159232432) is 1-(4-aminophenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 1-(4-aminophenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 1-(4-aminophenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one is Nc1ccc(C(=O)CCc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is KTBPLAIGPDQUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO/c17-16(18,19)13-6-1-11(2-7-13)3-10-15(21)12-4-8-14(20)9-5-12/h1-2,4-9H,3,10,20H2.
What are the key properties of 1-(4-aminophenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one?
1-(4-aminophenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 293.29 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 159232432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).