2-(3-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine

C14H10BrF4N — CID 105015725

IUPAC2-(3-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
SMILESNC(Cc1cc(F)cc(Br)c1)c1c(F)cc(F)cc1F
InChIInChI=1S/C14H10BrF4N/c15-8-1-7(2-9(16)4-8)3-13(20)14-11(18)5-10(17)6-12(14)19/h1-2,4-6,13H,3,20H2
InChIKeyHOCAJGBOQWDTGA-UHFFFAOYSA-N
MW348.14 g/mol
LogP4.25
Rot. Bonds3

About 2-(3-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine

2-(3-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine (PubChem CID 105015725) has the molecular formula C14H10BrF4N and a molecular weight of 348.14 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
PubChem CID105015725
Molecular FormulaC14H10BrF4N
Molecular Weight348.14 g/mol
Exact Mass346.99
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
SMILESNC(Cc1cc(F)cc(Br)c1)c1c(F)cc(F)cc1F
InChIInChI=1S/C14H10BrF4N/c15-8-1-7(2-9(16)4-8)3-13(20)14-11(18)5-10(17)6-12(14)19/h1-2,4-6,13H,3,20H2
InChIKeyHOCAJGBOQWDTGA-UHFFFAOYSA-N
XLogP4.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.14
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 43198672
2-(5-bromo-3-pyridinyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105036929
2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanamine
CID 105015454
1-(4-bromo-2,6-difluorophenyl)-2-(3-bromo-5-fluorophenyl)ethanol
CID 115822678
2-(3-bromo-5-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 105015396
2-(3-bromo-5-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 105015619
1-(4-bromo-2,6-difluorophenyl)-2-(4-ethylphenyl)ethanamine
CID 115803938
2-(4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 43330154
2-(3-bromo-5-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 79709215
2-(3-bromo-5-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanamine
CID 105015800
2-(3-bromo-5-fluorophenyl)-1-(furan-3-yl)ethanamine
CID 79709295
2-(3-bromo-5-fluorophenyl)-1-pyridin-2-ylethanamine
CID 79702482

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine (CID 105015725) is 2-(3-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine is NC(Cc1cc(F)cc(Br)c1)c1c(F)cc(F)cc1F.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine?
The InChIKey is HOCAJGBOQWDTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF4N/c15-8-1-7(2-9(16)4-8)3-13(20)14-11(18)5-10(17)6-12(14)19/h1-2,4-6,13H,3,20H2.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine?
2-(3-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine has a molecular weight of 348.14 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine is sourced from PubChem (CID 105015725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).