2-[1-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]ethanamine

C13H14F3N3O — CID 79982620

IUPAC2-[1-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]ethanamine
SMILESNCCc1cn(Cc2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C13H14F3N3O/c14-13(15,16)20-12-3-1-10(2-4-12)7-19-8-11(5-6-17)18-9-19/h1-4,8-9H,5-7,17H2
InChIKeyYHIHWCXUJDJQSE-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.33
Rot. Bonds5

About 2-[1-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]ethanamine

2-[1-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]ethanamine (PubChem CID 79982620) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is 2-[1-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]ethanamine
PubChem CID79982620
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name2-[1-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]ethanamine
SMILESNCCc1cn(Cc2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C13H14F3N3O/c14-13(15,16)20-12-3-1-10(2-4-12)7-19-8-11(5-6-17)18-9-19/h1-4,8-9H,5-7,17H2
InChIKeyYHIHWCXUJDJQSE-UHFFFAOYSA-N
XLogP2.33
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]ethanamine?
The IUPAC name of 2-[1-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]ethanamine (CID 79982620) is 2-[1-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]ethanamine is NCCc1cn(Cc2ccc(OC(F)(F)F)cc2)cn1.
What is the InChIKey of 2-[1-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]ethanamine?
The InChIKey is YHIHWCXUJDJQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c14-13(15,16)20-12-3-1-10(2-4-12)7-19-8-11(5-6-17)18-9-19/h1-4,8-9H,5-7,17H2.
What are the key properties of 2-[1-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]ethanamine?
2-[1-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]ethanamine has a molecular weight of 285.27 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 79982620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).