2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine

C15H15F3N2 — CID 60647921

IUPAC2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESFC(F)(F)c1cccc(CNCCc2ccncc2)c1
InChIInChI=1S/C15H15F3N2/c16-15(17,18)14-3-1-2-13(10-14)11-20-9-6-12-4-7-19-8-5-12/h1-5,7-8,10,20H,6,9,11H2
InChIKeyPXWMGFCSQRPWRF-UHFFFAOYSA-N
MW280.29 g/mol
LogP3.43
Rot. Bonds5

About 2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine

2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 60647921) has the molecular formula C15H15F3N2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID60647921
Molecular FormulaC15H15F3N2
Molecular Weight280.29 g/mol
Exact Mass280.12
IUPAC Name2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESFC(F)(F)c1cccc(CNCCc2ccncc2)c1
InChIInChI=1S/C15H15F3N2/c16-15(17,18)14-3-1-2-13(10-14)11-20-9-6-12-4-7-19-8-5-12/h1-5,7-8,10,20H,6,9,11H2
InChIKeyPXWMGFCSQRPWRF-UHFFFAOYSA-N
XLogP3.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(aminomethyl)phenyl]methyl]-2-pyridin-4-ylethanamine
CID 115213067
N-benzyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 24754485
(2S)-N-(pyridin-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 42563452
2-[3-(trifluoromethyl)phenyl]-N-(trimethylsilylmethyl)ethanamine
CID 67402200
5-[[3-(trifluoromethyl)phenyl]methylamino]pentan-1-ol
CID 62227696
3-[[3-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 28830273
1-(2-pyridin-4-ylethyl)-3-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]urea
CID 2798061
N-[(2,2-dimethyl-1,3-benzodioxol-5-yl)methyl]-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 69346752
N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 68700218
3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 28673176
3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 43090002
1-pyridin-4-yl-N-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 56861728

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of 2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine (CID 60647921) is 2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine is FC(F)(F)c1cccc(CNCCc2ccncc2)c1.
What is the InChIKey of 2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is PXWMGFCSQRPWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2/c16-15(17,18)14-3-1-2-13(10-14)11-20-9-6-12-4-7-19-8-5-12/h1-5,7-8,10,20H,6,9,11H2.
What are the key properties of 2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 280.29 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 60647921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).