1-(2-bromo-4-chloro-6-fluorophenyl)ethanamine

C8H8BrClFN — CID 84804298

IUPAC1-(2-bromo-4-chloro-6-fluorophenyl)ethanamine
SMILESCC(N)c1c(F)cc(Cl)cc1Br
InChIInChI=1S/C8H8BrClFN/c1-4(12)8-6(9)2-5(10)3-7(8)11/h2-4H,12H2,1H3
InChIKeyMDFKCCNNJBJYQT-UHFFFAOYSA-N
MW252.51 g/mol
LogP3.26
Rot. Bonds1

About 1-(2-bromo-4-chloro-6-fluorophenyl)ethanamine

1-(2-bromo-4-chloro-6-fluorophenyl)ethanamine (PubChem CID 84804298) has the molecular formula C8H8BrClFN and a molecular weight of 252.51 g/mol. Its IUPAC name is 1-(2-bromo-4-chloro-6-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-chloro-6-fluorophenyl)ethanamine
PubChem CID84804298
Molecular FormulaC8H8BrClFN
Molecular Weight252.51 g/mol
Exact Mass250.95
IUPAC Name1-(2-bromo-4-chloro-6-fluorophenyl)ethanamine
SMILESCC(N)c1c(F)cc(Cl)cc1Br
InChIInChI=1S/C8H8BrClFN/c1-4(12)8-6(9)2-5(10)3-7(8)11/h2-4H,12H2,1H3
InChIKeyMDFKCCNNJBJYQT-UHFFFAOYSA-N
XLogP3.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.51
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chloro-6-fluorophenyl)ethanamine?
The IUPAC name of 1-(2-bromo-4-chloro-6-fluorophenyl)ethanamine (CID 84804298) is 1-(2-bromo-4-chloro-6-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(2-bromo-4-chloro-6-fluorophenyl)ethanamine?
The canonical SMILES for 1-(2-bromo-4-chloro-6-fluorophenyl)ethanamine is CC(N)c1c(F)cc(Cl)cc1Br.
What is the InChIKey of 1-(2-bromo-4-chloro-6-fluorophenyl)ethanamine?
The InChIKey is MDFKCCNNJBJYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClFN/c1-4(12)8-6(9)2-5(10)3-7(8)11/h2-4H,12H2,1H3.
What are the key properties of 1-(2-bromo-4-chloro-6-fluorophenyl)ethanamine?
1-(2-bromo-4-chloro-6-fluorophenyl)ethanamine has a molecular weight of 252.51 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chloro-6-fluorophenyl)ethanamine is sourced from PubChem (CID 84804298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).