2-(2-bromo-4-fluorophenoxy)ethanamine

C8H9BrFNO — CID 22688771

IUPAC2-(2-bromo-4-fluorophenoxy)ethanamine
SMILESNCCOc1ccc(F)cc1Br
InChIInChI=1S/C8H9BrFNO/c9-7-5-6(10)1-2-8(7)12-4-3-11/h1-2,5H,3-4,11H2
InChIKeyZMIGHQMJEWSNBB-UHFFFAOYSA-N
MW234.07 g/mol
LogP1.93
Rot. Bonds3

About 2-(2-bromo-4-fluorophenoxy)ethanamine

2-(2-bromo-4-fluorophenoxy)ethanamine (PubChem CID 22688771) has the molecular formula C8H9BrFNO and a molecular weight of 234.07 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)ethanamine
PubChem CID22688771
Molecular FormulaC8H9BrFNO
Molecular Weight234.07 g/mol
Exact Mass232.99
IUPAC Name2-(2-bromo-4-fluorophenoxy)ethanamine
SMILESNCCOc1ccc(F)cc1Br
InChIInChI=1S/C8H9BrFNO/c9-7-5-6(10)1-2-8(7)12-4-3-11/h1-2,5H,3-4,11H2
InChIKeyZMIGHQMJEWSNBB-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.07
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[3-(2-bromo-4-fluorophenoxy)propoxy]phenyl]methanamine
CID 43531037
5-(2-bromo-4-fluorophenoxy)-2,2-dimethylpentan-1-amine
CID 65255804
2-bromo-4-fluoro-1-(3-methylbut-3-enoxy)benzene
CID 114472657
3-(2-bromo-4-fluorophenoxy)-N'-hydroxypropanimidamide
CID 24694064
4-(2-chloro-4-fluorophenoxy)butan-1-amine
CID 60971169
2-(2-ethyl-4-fluorophenoxy)ethanamine
CID 152850030
4-(2-bromo-4-fluorophenoxy)butan-2-one
CID 60666649
3-(2-bromo-4-fluorophenoxy)-2-methylpropan-1-amine
CID 43531039
2-bromo-4-fluoro-1-hex-5-enoxybenzene
CID 121012667
4-(2,4-difluorophenoxy)butan-1-amine;hydrochloride
CID 86262593
4-(2-aminoethoxy)-3-bromobenzonitrile
CID 82800339
2-bromo-1-(3-ethylsulfanylpropoxy)-4-fluorobenzene
CID 115649833

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)ethanamine?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)ethanamine (CID 22688771) is 2-(2-bromo-4-fluorophenoxy)ethanamine.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)ethanamine?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)ethanamine is NCCOc1ccc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)ethanamine?
The InChIKey is ZMIGHQMJEWSNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNO/c9-7-5-6(10)1-2-8(7)12-4-3-11/h1-2,5H,3-4,11H2.
What are the key properties of 2-(2-bromo-4-fluorophenoxy)ethanamine?
2-(2-bromo-4-fluorophenoxy)ethanamine has a molecular weight of 234.07 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)ethanamine is sourced from PubChem (CID 22688771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).