2-[2-(aminomethyl)phenyl]-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone

C15H13F3N2O — CID 102709433

IUPAC2-[2-(aminomethyl)phenyl]-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
SMILESNCc1ccccc1CC(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C15H13F3N2O/c16-15(17,18)13-5-6-20-9-12(13)14(21)7-10-3-1-2-4-11(10)8-19/h1-6,9H,7-8,19H2
InChIKeyLRYFBXFNOHOBTM-UHFFFAOYSA-N
MW294.28 g/mol
LogP2.98
Rot. Bonds4

About 2-[2-(aminomethyl)phenyl]-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone

2-[2-(aminomethyl)phenyl]-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone (PubChem CID 102709433) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
PubChem CID102709433
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name2-[2-(aminomethyl)phenyl]-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
SMILESNCc1ccccc1CC(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C15H13F3N2O/c16-15(17,18)13-5-6-20-9-12(13)14(21)7-10-3-1-2-4-11(10)8-19/h1-6,9H,7-8,19H2
InChIKeyLRYFBXFNOHOBTM-UHFFFAOYSA-N
XLogP2.98
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102707559
2-(4-methylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102707574
2-(3-fluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102707552
bis[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 151901684
2-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102709315
3-amino-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-one
CID 102709471
3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one
CID 102709606
N-[(2-chlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 2726855
2-(2-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102707642
2-cyclobutyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 103168174
ethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 142909767
N-(2,6-diethylphenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
CID 2727017

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone (CID 102709433) is 2-[2-(aminomethyl)phenyl]-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone is NCc1ccccc1CC(=O)c1cnccc1C(F)(F)F.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone?
The InChIKey is LRYFBXFNOHOBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c16-15(17,18)13-5-6-20-9-12(13)14(21)7-10-3-1-2-4-11(10)8-19/h1-6,9H,7-8,19H2.
What are the key properties of 2-[2-(aminomethyl)phenyl]-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone?
2-[2-(aminomethyl)phenyl]-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone has a molecular weight of 294.28 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone is sourced from PubChem (CID 102709433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).