2-(2-bromo-6-fluorophenyl)propan-2-amine

C9H11BrFN — CID 83403201

IUPAC2-(2-bromo-6-fluorophenyl)propan-2-amine
SMILESCC(C)(N)c1c(F)cccc1Br
InChIInChI=1S/C9H11BrFN/c1-9(2,12)8-6(10)4-3-5-7(8)11/h3-5H,12H2,1-2H3
InChIKeyUYZGSAUCDHKUOH-UHFFFAOYSA-N
MW232.10 g/mol
LogP2.78
Rot. Bonds1

About 2-(2-bromo-6-fluorophenyl)propan-2-amine

2-(2-bromo-6-fluorophenyl)propan-2-amine (PubChem CID 83403201) has the molecular formula C9H11BrFN and a molecular weight of 232.10 g/mol. Its IUPAC name is 2-(2-bromo-6-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name2-(2-bromo-6-fluorophenyl)propan-2-amine
PubChem CID83403201
Molecular FormulaC9H11BrFN
Molecular Weight232.10 g/mol
Exact Mass231.01
IUPAC Name2-(2-bromo-6-fluorophenyl)propan-2-amine
SMILESCC(C)(N)c1c(F)cccc1Br
InChIInChI=1S/C9H11BrFN/c1-9(2,12)8-6(10)4-3-5-7(8)11/h3-5H,12H2,1-2H3
InChIKeyUYZGSAUCDHKUOH-UHFFFAOYSA-N
XLogP2.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.10
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-fluorophenyl)propan-2-amine?
The IUPAC name of 2-(2-bromo-6-fluorophenyl)propan-2-amine (CID 83403201) is 2-(2-bromo-6-fluorophenyl)propan-2-amine.
What is the SMILES notation for 2-(2-bromo-6-fluorophenyl)propan-2-amine?
The canonical SMILES for 2-(2-bromo-6-fluorophenyl)propan-2-amine is CC(C)(N)c1c(F)cccc1Br.
What is the InChIKey of 2-(2-bromo-6-fluorophenyl)propan-2-amine?
The InChIKey is UYZGSAUCDHKUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFN/c1-9(2,12)8-6(10)4-3-5-7(8)11/h3-5H,12H2,1-2H3.
What are the key properties of 2-(2-bromo-6-fluorophenyl)propan-2-amine?
2-(2-bromo-6-fluorophenyl)propan-2-amine has a molecular weight of 232.10 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-fluorophenyl)propan-2-amine is sourced from PubChem (CID 83403201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).