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

C15H13F3N2O — CID 116601811

IUPAC1-[2-(aminomethyl)-4-pyridinyl]-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESNCc1cc(C(=O)Cc2cccc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C15H13F3N2O/c16-15(17,18)12-3-1-2-10(6-12)7-14(21)11-4-5-20-13(8-11)9-19/h1-6,8H,7,9,19H2
InChIKeyRTXKFCAHWUNOSW-UHFFFAOYSA-N
MW294.28 g/mol
LogP2.98
Rot. Bonds4

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

1-[2-(aminomethyl)-4-pyridinyl]-2-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 116601811) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-pyridinyl]-2-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-pyridinyl]-2-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID116601811
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name1-[2-(aminomethyl)-4-pyridinyl]-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESNCc1cc(C(=O)Cc2cccc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C15H13F3N2O/c16-15(17,18)12-3-1-2-10(6-12)7-14(21)11-4-5-20-13(8-11)9-19/h1-6,8H,7,9,19H2
InChIKeyRTXKFCAHWUNOSW-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-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 67079639
1-(3-aminophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 116548555
1-(4-amino-3-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 116581836
1-[2-(aminomethyl)-4-pyridinyl]-2-(3,5-difluorophenyl)ethanone
CID 105412051
1-(3,5-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 114966350
[2-(aminomethyl)-4-pyridinyl]-[4-(trifluoromethyl)phenyl]methanone
CID 116601926
2-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 60798946
1-(4-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 63411308
1-[4-(4-fluorophenyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 57090023
1-(3-amino-5-bromophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 116597104
2-(2-cyclopropyl-2-oxoethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 149457957
1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 58145636

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-pyridinyl]-2-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[2-(aminomethyl)-4-pyridinyl]-2-[3-(trifluoromethyl)phenyl]ethanone (CID 116601811) is 1-[2-(aminomethyl)-4-pyridinyl]-2-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-(aminomethyl)-4-pyridinyl]-2-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[2-(aminomethyl)-4-pyridinyl]-2-[3-(trifluoromethyl)phenyl]ethanone is NCc1cc(C(=O)Cc2cccc(C(F)(F)F)c2)ccn1.
What is the InChIKey of 1-[2-(aminomethyl)-4-pyridinyl]-2-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is RTXKFCAHWUNOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c16-15(17,18)12-3-1-2-10(6-12)7-14(21)11-4-5-20-13(8-11)9-19/h1-6,8H,7,9,19H2.
What are the key properties of 1-[2-(aminomethyl)-4-pyridinyl]-2-[3-(trifluoromethyl)phenyl]ethanone?
1-[2-(aminomethyl)-4-pyridinyl]-2-[3-(trifluoromethyl)phenyl]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 1-[2-(aminomethyl)-4-pyridinyl]-2-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 116601811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).