2-(4-bromophenyl)-1-(2,4,6-trifluorophenyl)ethanamine

C14H11BrF3N — CID 43198672

IUPAC2-(4-bromophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
SMILESNC(Cc1ccc(Br)cc1)c1c(F)cc(F)cc1F
InChIInChI=1S/C14H11BrF3N/c15-9-3-1-8(2-4-9)5-13(19)14-11(17)6-10(16)7-12(14)18/h1-4,6-7,13H,5,19H2
InChIKeyXCJSRIWRLYDSSF-UHFFFAOYSA-N
MW330.15 g/mol
LogP4.11
Rot. Bonds3

About 2-(4-bromophenyl)-1-(2,4,6-trifluorophenyl)ethanamine

2-(4-bromophenyl)-1-(2,4,6-trifluorophenyl)ethanamine (PubChem CID 43198672) has the molecular formula C14H11BrF3N and a molecular weight of 330.15 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(2,4,6-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
PubChem CID43198672
Molecular FormulaC14H11BrF3N
Molecular Weight330.15 g/mol
Exact Mass329.00
IUPAC Name2-(4-bromophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
SMILESNC(Cc1ccc(Br)cc1)c1c(F)cc(F)cc1F
InChIInChI=1S/C14H11BrF3N/c15-9-3-1-8(2-4-9)5-13(19)14-11(17)6-10(16)7-12(14)18/h1-4,6-7,13H,5,19H2
InChIKeyXCJSRIWRLYDSSF-UHFFFAOYSA-N
XLogP4.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.15
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanamine
CID 106877345
2-(4-bromophenyl)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine
CID 60964951
2-(4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 43330154
2-(3-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105015725
1-(4-bromo-2,6-difluorophenyl)-2-(4-ethylphenyl)ethanamine
CID 115803938
2-(5-bromo-3-pyridinyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105036929
2-(2-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 115843812
2-(furan-3-yl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105030125
2-(3-fluoro-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 115829866
2-(2-bromo-3-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105020643
2-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 55026181
1-(4-bromo-2,6-difluorophenyl)-2-(furan-3-yl)ethanamine
CID 105030226

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(2,4,6-trifluorophenyl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)-1-(2,4,6-trifluorophenyl)ethanamine (CID 43198672) is 2-(4-bromophenyl)-1-(2,4,6-trifluorophenyl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-1-(2,4,6-trifluorophenyl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-1-(2,4,6-trifluorophenyl)ethanamine is NC(Cc1ccc(Br)cc1)c1c(F)cc(F)cc1F.
What is the InChIKey of 2-(4-bromophenyl)-1-(2,4,6-trifluorophenyl)ethanamine?
The InChIKey is XCJSRIWRLYDSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3N/c15-9-3-1-8(2-4-9)5-13(19)14-11(17)6-10(16)7-12(14)18/h1-4,6-7,13H,5,19H2.
What are the key properties of 2-(4-bromophenyl)-1-(2,4,6-trifluorophenyl)ethanamine?
2-(4-bromophenyl)-1-(2,4,6-trifluorophenyl)ethanamine has a molecular weight of 330.15 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(2,4,6-trifluorophenyl)ethanamine is sourced from PubChem (CID 43198672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).