1-(3-methylimidazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine

C13H14F3N3 — CID 82895393

IUPAC1-(3-methylimidazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCn1cncc1C(N)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H14F3N3/c1-19-8-18-7-12(19)11(17)6-9-2-4-10(5-3-9)13(14,15)16/h2-5,7-8,11H,6,17H2,1H3
InChIKeyAKJGTZYJVXQBSP-UHFFFAOYSA-N
MW269.27 g/mol
LogP2.68
Rot. Bonds3

About 1-(3-methylimidazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine

1-(3-methylimidazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 82895393) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is 1-(3-methylimidazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-(3-methylimidazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID82895393
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name1-(3-methylimidazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCn1cncc1C(N)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H14F3N3/c1-19-8-18-7-12(19)11(17)6-9-2-4-10(5-3-9)13(14,15)16/h2-5,7-8,11H,6,17H2,1H3
InChIKeyAKJGTZYJVXQBSP-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

4-[2-amino-2-(3-methylimidazol-4-yl)ethyl]phenol
CID 82895858
1-(1-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 65200458
2-amino-2-[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanol
CID 114705699
2-(2,6-dimethylphenyl)-1-(3-methylimidazol-4-yl)ethanamine
CID 82895312
2,2,2-trifluoro-1-(3-methylimidazol-4-yl)ethanamine
CID 66116728
N-[(3-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 82887724
(1R)-2-phenyl-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine
CID 104941817
2-(4-ethylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 115803330
1-(4-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 63841377
[2-(4-fluorophenyl)-1-(3-methylimidazol-4-yl)ethyl]hydrazine
CID 105264554
1-(3-methylimidazol-4-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107050777
1-(3-methylimidazol-4-yl)-2-phenylethanol
CID 66118824

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylimidazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 1-(3-methylimidazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine (CID 82895393) is 1-(3-methylimidazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 1-(3-methylimidazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 1-(3-methylimidazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine is Cn1cncc1C(N)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(3-methylimidazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is AKJGTZYJVXQBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-19-8-18-7-12(19)11(17)6-9-2-4-10(5-3-9)13(14,15)16/h2-5,7-8,11H,6,17H2,1H3.
What are the key properties of 1-(3-methylimidazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
1-(3-methylimidazol-4-yl)-2-[4-(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 1-(3-methylimidazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 82895393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).