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

C13H13BrF3N3 — CID 79752934

IUPAC1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(1-methylimidazol-2-yl)ethanamine
SMILESCn1ccnc1CC(N)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H13BrF3N3/c1-20-5-4-19-12(20)7-11(18)9-3-2-8(14)6-10(9)13(15,16)17/h2-6,11H,7,18H2,1H3
InChIKeyLYRXQNDCDPZDJR-UHFFFAOYSA-N
MW348.17 g/mol
LogP3.44
Rot. Bonds3

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

1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(1-methylimidazol-2-yl)ethanamine (PubChem CID 79752934) has the molecular formula C13H13BrF3N3 and a molecular weight of 348.17 g/mol. Its IUPAC name is 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(1-methylimidazol-2-yl)ethanamine
PubChem CID79752934
Molecular FormulaC13H13BrF3N3
Molecular Weight348.17 g/mol
Exact Mass347.02
IUPAC Name1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(1-methylimidazol-2-yl)ethanamine
SMILESCn1ccnc1CC(N)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H13BrF3N3/c1-20-5-4-19-12(20)7-11(18)9-3-2-8(14)6-10(9)13(15,16)17/h2-6,11H,7,18H2,1H3
InChIKeyLYRXQNDCDPZDJR-UHFFFAOYSA-N
XLogP3.44
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.17
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 114019331
1-(5-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105011669
1-[4-bromo-2-(trifluoromethyl)phenyl]-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 63976228
1-(2-bromo-5-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105011679
2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105011303
2-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 112727320
1-(4-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanol
CID 115820394
2-(5-bromo-3-pyridinyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethanamine
CID 104801818
1-[4-bromo-2-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 62690862
1-(4-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012373
1-[4-bromo-2-(trifluoromethyl)phenyl]-4,4,4-trifluorobutan-1-amine
CID 64566197
1-[4-bromo-2-(trifluoromethyl)phenyl]hexan-1-amine
CID 55187013

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(1-methylimidazol-2-yl)ethanamine (CID 79752934) is 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(1-methylimidazol-2-yl)ethanamine is Cn1ccnc1CC(N)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is LYRXQNDCDPZDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrF3N3/c1-20-5-4-19-12(20)7-11(18)9-3-2-8(14)6-10(9)13(15,16)17/h2-6,11H,7,18H2,1H3.
What are the key properties of 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(1-methylimidazol-2-yl)ethanamine?
1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 348.17 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 79752934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).