2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine

C12H12F3N3 — CID 105011303

IUPAC2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine
SMILESCn1ccnc1CC(N)c1ccc(F)c(F)c1F
InChIInChI=1S/C12H12F3N3/c1-18-5-4-17-10(18)6-9(16)7-2-3-8(13)12(15)11(7)14/h2-5,9H,6,16H2,1H3
InChIKeyJRXDXNPUKWUKMU-UHFFFAOYSA-N
MW255.24 g/mol
LogP2.08
Rot. Bonds3

About 2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine

2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine (PubChem CID 105011303) has the molecular formula C12H12F3N3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine
PubChem CID105011303
Molecular FormulaC12H12F3N3
Molecular Weight255.24 g/mol
Exact Mass255.10
IUPAC Name2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine
SMILESCn1ccnc1CC(N)c1ccc(F)c(F)c1F
InChIInChI=1S/C12H12F3N3/c1-18-5-4-17-10(18)6-9(16)7-2-3-8(13)12(15)11(7)14/h2-5,9H,6,16H2,1H3
InChIKeyJRXDXNPUKWUKMU-UHFFFAOYSA-N
XLogP2.08
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105011558
1-(3-chloro-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 79761475
1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 114019331
1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 79752934
1-(4-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 107994332
2-(1-methylimidazol-2-yl)-1-quinolin-4-ylethanamine
CID 105167218
[1-(4-chloro-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105217996
1-(5-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105011669
1-(2-bromo-5-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105011679
2-pyridin-4-yl-1-(2,3,4-trifluorophenyl)ethanamine
CID 62965496
2-(1-methylimidazol-2-yl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 79760474
(1-methylimidazol-2-yl)-(2,3,4-trifluorophenyl)methanol
CID 79755971

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine?
The IUPAC name of 2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine (CID 105011303) is 2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine is Cn1ccnc1CC(N)c1ccc(F)c(F)c1F.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine?
The InChIKey is JRXDXNPUKWUKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3/c1-18-5-4-17-10(18)6-9(16)7-2-3-8(13)12(15)11(7)14/h2-5,9H,6,16H2,1H3.
What are the key properties of 2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine?
2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine has a molecular weight of 255.24 g/mol, XLogP of 2.08, 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-(2,3,4-trifluorophenyl)ethanamine is sourced from PubChem (CID 105011303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).