1-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-1-amine

C8H12F3N3 — CID 144950523

IUPAC1-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-1-amine
SMILESCCC(N)c1cn(CC(F)(F)F)cn1
InChIInChI=1S/C8H12F3N3/c1-2-6(12)7-3-14(5-13-7)4-8(9,10)11/h3,5-6H,2,4,12H2,1H3
InChIKeyQMLIEWULIBAKBP-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.86
Rot. Bonds3

About 1-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-1-amine

1-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-1-amine (PubChem CID 144950523) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is 1-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name1-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-1-amine
PubChem CID144950523
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC Name1-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-1-amine
SMILESCCC(N)c1cn(CC(F)(F)F)cn1
InChIInChI=1S/C8H12F3N3/c1-2-6(12)7-3-14(5-13-7)4-8(9,10)11/h3,5-6H,2,4,12H2,1H3
InChIKeyQMLIEWULIBAKBP-UHFFFAOYSA-N
XLogP1.86
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methylhistamine
CID 3614
3-Methylhistamine
CID 69520
alpha-Methyl-1H-imidazole-5-ethanamine
CID 3615
alpha-methylhistamine, (R)-
CID 156615
(S)-alpha-Methylhistamine
CID 6603865
N-ethylhistamine
CID 44292270
4-(1H-imidazol-5-yl)-N-propan-2-ylbutan-1-amine
CID 11600780
2-(1-Methyl-1H-imidazol-4-yl)ethanamine hydrochloride
CID 16219661
2-(1-Isopropyl-1H-imidazol-4-yl)ethanamine
CID 585835
N(tele)-methylhistaminium
CID 25245502
N,N-diethyl-5-(1H-imidazol-5-yl)pentan-1-amine
CID 11492189
5-(1H-imidazol-5-yl)-N-propan-2-ylpentan-1-amine
CID 11672850

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-1-amine?
The IUPAC name of 1-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-1-amine (CID 144950523) is 1-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-1-amine.
What is the SMILES notation for 1-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-1-amine?
The canonical SMILES for 1-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-1-amine is CCC(N)c1cn(CC(F)(F)F)cn1.
What is the InChIKey of 1-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-1-amine?
The InChIKey is QMLIEWULIBAKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-2-6(12)7-3-14(5-13-7)4-8(9,10)11/h3,5-6H,2,4,12H2,1H3.
What are the key properties of 1-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-1-amine?
1-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-1-amine has a molecular weight of 207.20 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-1-amine is sourced from PubChem (CID 144950523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).