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

C9H12F3N3 — CID 83849345

IUPAC2-[1-cyclopropyl-5-(trifluoromethyl)imidazol-2-yl]ethanamine
SMILESNCCc1ncc(C(F)(F)F)n1C1CC1
InChIInChI=1S/C9H12F3N3/c10-9(11,12)7-5-14-8(3-4-13)15(7)6-1-2-6/h5-6H,1-4,13H2
InChIKeyNEGWFCYEGNLJCF-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.74
Rot. Bonds3

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

2-[1-cyclopropyl-5-(trifluoromethyl)imidazol-2-yl]ethanamine (PubChem CID 83849345) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is 2-[1-cyclopropyl-5-(trifluoromethyl)imidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-cyclopropyl-5-(trifluoromethyl)imidazol-2-yl]ethanamine
PubChem CID83849345
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Name2-[1-cyclopropyl-5-(trifluoromethyl)imidazol-2-yl]ethanamine
SMILESNCCc1ncc(C(F)(F)F)n1C1CC1
InChIInChI=1S/C9H12F3N3/c10-9(11,12)7-5-14-8(3-4-13)15(7)6-1-2-6/h5-6H,1-4,13H2
InChIKeyNEGWFCYEGNLJCF-UHFFFAOYSA-N
XLogP1.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-1-cyclopropylpyrazol-4-yl)ethanamine
CID 115017021
2-[3-cyclohexyl-2-(methoxymethyl)imidazol-4-yl]ethanamine
CID 83824513
[4-cyclopropyl-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]methanamine
CID 112593153
2-[1-methyl-5-(trifluoromethyl)imidazol-2-yl]acetic acid
CID 83848568
2-(3-cycloheptylimidazo[4,5-b]pyridin-2-yl)ethanamine
CID 82483690
2-imidazo[1,5-b]pyridazin-7-ylethanamine
CID 84651411
2-(7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)ethanamine
CID 83828068
5-(2-aminoethyl)-4-cyclopropyl-N-propan-2-yl-1,2,4-triazol-3-amine
CID 83884674
2-(1-tert-butyl-5-methylimidazol-2-yl)ethanamine
CID 83875902
3-(5-chloro-1-cyclopropylpyrazol-4-yl)propan-1-amine
CID 115021879
2-(4-cyclobutyl-1,2,4-triazol-3-yl)ethanamine
CID 83873587
2-(1-cyclohexyl-5-fluoropyrazol-4-yl)ethanamine
CID 115027444

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropyl-5-(trifluoromethyl)imidazol-2-yl]ethanamine?
The IUPAC name of 2-[1-cyclopropyl-5-(trifluoromethyl)imidazol-2-yl]ethanamine (CID 83849345) is 2-[1-cyclopropyl-5-(trifluoromethyl)imidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-cyclopropyl-5-(trifluoromethyl)imidazol-2-yl]ethanamine?
The canonical SMILES for 2-[1-cyclopropyl-5-(trifluoromethyl)imidazol-2-yl]ethanamine is NCCc1ncc(C(F)(F)F)n1C1CC1.
What is the InChIKey of 2-[1-cyclopropyl-5-(trifluoromethyl)imidazol-2-yl]ethanamine?
The InChIKey is NEGWFCYEGNLJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c10-9(11,12)7-5-14-8(3-4-13)15(7)6-1-2-6/h5-6H,1-4,13H2.
What are the key properties of 2-[1-cyclopropyl-5-(trifluoromethyl)imidazol-2-yl]ethanamine?
2-[1-cyclopropyl-5-(trifluoromethyl)imidazol-2-yl]ethanamine has a molecular weight of 219.21 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropyl-5-(trifluoromethyl)imidazol-2-yl]ethanamine is sourced from PubChem (CID 83849345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).