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

C14H14F3N3 — CID 62763608

IUPACN-(pyrazin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCC(NCc1cnccn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H14F3N3/c1-10(20-9-13-8-18-6-7-19-13)11-2-4-12(5-3-11)14(15,16)17/h2-8,10,20H,9H2,1H3
InChIKeyJTAAXEMEVHGERO-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.35
Rot. Bonds4

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

N-(pyrazin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 62763608) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is N-(pyrazin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-(pyrazin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID62763608
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC NameN-(pyrazin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCC(NCc1cnccn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H14F3N3/c1-10(20-9-13-8-18-6-7-19-13)11-2-4-12(5-3-11)14(15,16)17/h2-8,10,20H,9H2,1H3
InChIKeyJTAAXEMEVHGERO-UHFFFAOYSA-N
XLogP3.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 81348280
1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 62763603
N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 43195718
N-(pyrimidin-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62748716
1-(4-propan-2-yloxyphenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 62761091
N-(pyrazin-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 62762497
N-(1,3-thiazol-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 47067965
N-(1,3-thiazol-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 61286204
(1S)-1-(3-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 81366845
N-[(3-methylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 63000281
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 103912999
1-(1,3-benzodioxol-5-yl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 62762166

Frequently Asked Questions

What is the IUPAC name of N-(pyrazin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-(pyrazin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine (CID 62763608) is N-(pyrazin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-(pyrazin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-(pyrazin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine is CC(NCc1cnccn1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(pyrazin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is JTAAXEMEVHGERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c1-10(20-9-13-8-18-6-7-19-13)11-2-4-12(5-3-11)14(15,16)17/h2-8,10,20H,9H2,1H3.
What are the key properties of N-(pyrazin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
N-(pyrazin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 281.28 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrazin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 62763608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).