2-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine

C13H14F3N3 — CID 112727320

IUPAC2-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCn1ccnc1CC(N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H14F3N3/c1-19-6-5-18-12(19)8-11(17)9-3-2-4-10(7-9)13(14,15)16/h2-7,11H,8,17H2,1H3
InChIKeyNJBBIPFYSJFXIM-UHFFFAOYSA-N
MW269.27 g/mol
LogP2.68
Rot. Bonds3

About 2-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine

2-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 112727320) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID112727320
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name2-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCn1ccnc1CC(N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H14F3N3/c1-19-6-5-18-12(19)8-11(17)9-3-2-4-10(7-9)13(14,15)16/h2-7,11H,8,17H2,1H3
InChIKeyNJBBIPFYSJFXIM-UHFFFAOYSA-N
XLogP2.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylimidazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 79761514
1-(4-tert-butylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 115580384
2-(1-methylimidazol-2-yl)-1-(3-propoxyphenyl)ethanamine
CID 105011417
2-(1-methylimidazol-2-yl)-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755605
1-[3-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105141485
1-(4-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 107994332
1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 79752934
2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43825128
(1-propylimidazol-2-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 61316673
2-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 62791242
1-(3-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 115580367
1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 171986196

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine (CID 112727320) is 2-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine is Cn1ccnc1CC(N)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is NJBBIPFYSJFXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-19-6-5-18-12(19)8-11(17)9-3-2-4-10(7-9)13(14,15)16/h2-7,11H,8,17H2,1H3.
What are the key properties of 2-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine?
2-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 269.27 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 112727320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).