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

C14H10BrF4N — CID 115843812

IUPAC2-(2-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
SMILESNC(Cc1cc(F)ccc1Br)c1c(F)cc(F)cc1F
InChIInChI=1S/C14H10BrF4N/c15-10-2-1-8(16)3-7(10)4-13(20)14-11(18)5-9(17)6-12(14)19/h1-3,5-6,13H,4,20H2
InChIKeyIJUXXDCDOSOJKV-UHFFFAOYSA-N
MW348.14 g/mol
LogP4.25
Rot. Bonds3

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

2-(2-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine (PubChem CID 115843812) has the molecular formula C14H10BrF4N and a molecular weight of 348.14 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
PubChem CID115843812
Molecular FormulaC14H10BrF4N
Molecular Weight348.14 g/mol
Exact Mass346.99
IUPAC Name2-(2-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
SMILESNC(Cc1cc(F)ccc1Br)c1c(F)cc(F)cc1F
InChIInChI=1S/C14H10BrF4N/c15-10-2-1-8(16)3-7(10)4-13(20)14-11(18)5-9(17)6-12(14)19/h1-3,5-6,13H,4,20H2
InChIKeyIJUXXDCDOSOJKV-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-(2-bromo-5-fluorophenyl)-1-(5-bromo-2-fluorophenyl)ethanamine
CID 114894635
2-(2-bromo-3-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105020643
(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 71270516
2-(2-bromo-5-fluorophenyl)-1-(3-chloro-4-fluorophenyl)ethanamine
CID 63094668
2-(2-bromo-5-fluorophenyl)-1-pyrimidin-5-ylethanamine
CID 102923366
1-(4-bromo-2,6-difluorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanamine
CID 115862408
2-(4-bromophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 43198672
2-(2-bromo-5-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanamine
CID 114022096
2-(2-bromo-5-fluorophenyl)-1-(2-methylphenyl)ethanamine
CID 62600298
1-(2-bromo-5-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 115843743
1-(4-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine
CID 115843665
4-[1-amino-2-(2-bromo-5-fluorophenyl)ethyl]-N,N-dimethylaniline
CID 105136786

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine (CID 115843812) is 2-(2-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine is NC(Cc1cc(F)ccc1Br)c1c(F)cc(F)cc1F.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine?
The InChIKey is IJUXXDCDOSOJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF4N/c15-10-2-1-8(16)3-7(10)4-13(20)14-11(18)5-9(17)6-12(14)19/h1-3,5-6,13H,4,20H2.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine?
2-(2-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-(2-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine is sourced from PubChem (CID 115843812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).