1-[4-(aminomethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone

C16H14F3NO — CID 116548236

IUPAC1-[4-(aminomethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESNCc1ccc(C(=O)Cc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H14F3NO/c17-16(18,19)14-7-3-11(4-8-14)9-15(21)13-5-1-12(10-20)2-6-13/h1-8H,9-10,20H2
InChIKeyVVHYMBOHUQGURL-UHFFFAOYSA-N
MW293.29 g/mol
LogP3.59
Rot. Bonds4

About 1-[4-(aminomethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone

1-[4-(aminomethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 116548236) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone
PubChem CID116548236
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC Name1-[4-(aminomethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESNCc1ccc(C(=O)Cc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H14F3NO/c17-16(18,19)14-7-3-11(4-8-14)9-15(21)13-5-1-12(10-20)2-6-13/h1-8H,9-10,20H2
InChIKeyVVHYMBOHUQGURL-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 63411309
4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzonitrile
CID 24723939
1-(3-amino-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 116550965
1-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 118703223
1-[4-(aminomethyl)phenyl]-2-(4-chlorophenyl)ethanone;hydrochloride
CID 53407120
1-naphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 154014777
1-(4-aminophenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 159232432
1-(6-methyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 114971487
4-oxo-4-[4-(trifluoromethyl)phenyl]butanamide
CID 142703913
1-pyridazin-4-yl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 105093000
1-[4-(aminomethyl)phenyl]-2-(3,5-dimethylphenyl)ethanone
CID 116548140
1-(4-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 63411308

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone (CID 116548236) is 1-[4-(aminomethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone is NCc1ccc(C(=O)Cc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is VVHYMBOHUQGURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO/c17-16(18,19)14-7-3-11(4-8-14)9-15(21)13-5-1-12(10-20)2-6-13/h1-8H,9-10,20H2.
What are the key properties of 1-[4-(aminomethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone?
1-[4-(aminomethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 293.29 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 116548236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).