N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine

C15H15F3N2 — CID 43195718

IUPACN-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCC(NCc1ccccn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H15F3N2/c1-11(20-10-14-4-2-3-9-19-14)12-5-7-13(8-6-12)15(16,17)18/h2-9,11,20H,10H2,1H3
InChIKeyJIJFYQWJRONJBQ-UHFFFAOYSA-N
MW280.29 g/mol
LogP3.95
Rot. Bonds4

About N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine

N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 43195718) has the molecular formula C15H15F3N2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID43195718
Molecular FormulaC15H15F3N2
Molecular Weight280.29 g/mol
Exact Mass280.12
IUPAC NameN-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCC(NCc1ccccn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H15F3N2/c1-11(20-10-14-4-2-3-9-19-14)12-5-7-13(8-6-12)15(16,17)18/h2-9,11,20H,10H2,1H3
InChIKeyJIJFYQWJRONJBQ-UHFFFAOYSA-N
XLogP3.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(pyrazin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62763608
N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 43195719
N-(pyrimidin-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62748716
1-(4-bromophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 43178958
1-(4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 43195697
N-(1,3-thiazol-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 47067965
N-ethyl-2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62790871
N-(1,3-thiazol-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 61286204
N-methyl-2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62789836
N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 24700728
[3-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine
CID 105302330
1-(5-chlorothiophen-3-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 102976235

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine (CID 43195718) is N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine is CC(NCc1ccccn1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is JIJFYQWJRONJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2/c1-11(20-10-14-4-2-3-9-19-14)12-5-7-13(8-6-12)15(16,17)18/h2-9,11,20H,10H2,1H3.
What are the key properties of N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 280.29 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 43195718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).