2-[2-(trifluoromethyl)-1H-imidazol-5-yl]ethanamine

C6H8F3N3 — CID 591273

IUPAC2-[2-(trifluoromethyl)-1H-imidazol-5-yl]ethanamine
SMILESNCCc1cnc(C(F)(F)F)[nH]1
InChIInChI=1S/C6H8F3N3/c7-6(8,9)5-11-3-4(12-5)1-2-10/h3H,1-2,10H2,(H,11,12)
InChIKeyUEGOHPVSKUDFJE-UHFFFAOYSA-N
MW179.15 g/mol
LogP0.93
Rot. Bonds2

About 2-[2-(trifluoromethyl)-1H-imidazol-5-yl]ethanamine

2-[2-(trifluoromethyl)-1H-imidazol-5-yl]ethanamine (PubChem CID 591273) has the molecular formula C6H8F3N3 and a molecular weight of 179.15 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)-1H-imidazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)-1H-imidazol-5-yl]ethanamine
PubChem CID591273
Molecular FormulaC6H8F3N3
Molecular Weight179.15 g/mol
Exact Mass179.07
IUPAC Name2-[2-(trifluoromethyl)-1H-imidazol-5-yl]ethanamine
SMILESNCCc1cnc(C(F)(F)F)[nH]1
InChIInChI=1S/C6H8F3N3/c7-6(8,9)5-11-3-4(12-5)1-2-10/h3H,1-2,10H2,(H,11,12)
InChIKeyUEGOHPVSKUDFJE-UHFFFAOYSA-N
XLogP0.93
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Histamine
CID 774
Histamine Dihydrochloride
CID 5818
1-Methylhistamine
CID 3614
2-Ethyl-4-methylimidazole
CID 70262
3-Methylhistamine
CID 69520
Acetylhistamine
CID 69602
N,N-Dimethyl-1H-imidazole-4-ethanamine
CID 12656
Histamine Hydrochloride
CID 120160
2-(1H-Imidazol-5-yl)ethan-1-aminium
CID 25201573
N(alpha)-methylhistamine
CID 912
alpha-Methyl-1H-imidazole-5-ethanamine
CID 3615
2,4-Dimethylimidazole
CID 70259

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)-1H-imidazol-5-yl]ethanamine?
The IUPAC name of 2-[2-(trifluoromethyl)-1H-imidazol-5-yl]ethanamine (CID 591273) is 2-[2-(trifluoromethyl)-1H-imidazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(trifluoromethyl)-1H-imidazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-(trifluoromethyl)-1H-imidazol-5-yl]ethanamine is NCCc1cnc(C(F)(F)F)[nH]1.
What is the InChIKey of 2-[2-(trifluoromethyl)-1H-imidazol-5-yl]ethanamine?
The InChIKey is UEGOHPVSKUDFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3/c7-6(8,9)5-11-3-4(12-5)1-2-10/h3H,1-2,10H2,(H,11,12).
What are the key properties of 2-[2-(trifluoromethyl)-1H-imidazol-5-yl]ethanamine?
2-[2-(trifluoromethyl)-1H-imidazol-5-yl]ethanamine has a molecular weight of 179.15 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)-1H-imidazol-5-yl]ethanamine is sourced from PubChem (CID 591273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).