1-(3-amino-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone

C16H14F3NO — CID 116550965

IUPAC1-(3-amino-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESCc1ccc(C(=O)Cc2ccc(C(F)(F)F)cc2)cc1N
InChIInChI=1S/C16H14F3NO/c1-10-2-5-12(9-14(10)20)15(21)8-11-3-6-13(7-4-11)16(17,18)19/h2-7,9H,8,20H2,1H3
InChIKeyUCQBBJKOZILZLU-UHFFFAOYSA-N
MW293.29 g/mol
LogP4.02
Rot. Bonds3

About 1-(3-amino-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone

1-(3-amino-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 116550965) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is 1-(3-amino-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-(3-amino-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
PubChem CID116550965
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC Name1-(3-amino-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESCc1ccc(C(=O)Cc2ccc(C(F)(F)F)cc2)cc1N
InChIInChI=1S/C16H14F3NO/c1-10-2-5-12(9-14(10)20)15(21)8-11-3-6-13(7-4-11)16(17,18)19/h2-7,9H,8,20H2,1H3
InChIKeyUCQBBJKOZILZLU-UHFFFAOYSA-N
XLogP4.02
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanone
CID 116550862
1-[4-(aminomethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 116548236
1-(3-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanone
CID 103042493
1-naphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 154014777
1-(6-methyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 114971487
2-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 63411309
2-(4-aminophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 107129670
1-(5-bromo-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 65306863
2-(3-amino-4-methylphenyl)-1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone
CID 160715227
1-(4-amino-3-chlorophenyl)-2-(4-tert-butylphenyl)ethanone
CID 116581887
1-(3-amino-4-methylphenyl)-2-(5-chloro-2-fluorophenyl)ethanone
CID 103052274
4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzonitrile
CID 24723939

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-(3-amino-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone (CID 116550965) is 1-(3-amino-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-(3-amino-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-(3-amino-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone is Cc1ccc(C(=O)Cc2ccc(C(F)(F)F)cc2)cc1N.
What is the InChIKey of 1-(3-amino-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is UCQBBJKOZILZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO/c1-10-2-5-12(9-14(10)20)15(21)8-11-3-6-13(7-4-11)16(17,18)19/h2-7,9H,8,20H2,1H3.
What are the key properties of 1-(3-amino-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone?
1-(3-amino-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 293.29 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 116550965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).