2-[4-(2-bromo-4-fluorophenoxy)-3,5-difluorophenyl]ethanamine

C14H11BrF3NO — CID 63816477

IUPAC2-[4-(2-bromo-4-fluorophenoxy)-3,5-difluorophenyl]ethanamine
SMILESNCCc1cc(F)c(Oc2ccc(F)cc2Br)c(F)c1
InChIInChI=1S/C14H11BrF3NO/c15-10-7-9(16)1-2-13(10)20-14-11(17)5-8(3-4-19)6-12(14)18/h1-2,5-7H,3-4,19H2
InChIKeyJQZCZJIMIITXKT-UHFFFAOYSA-N
MW346.15 g/mol
LogP4.16
Rot. Bonds4

About 2-[4-(2-bromo-4-fluorophenoxy)-3,5-difluorophenyl]ethanamine

2-[4-(2-bromo-4-fluorophenoxy)-3,5-difluorophenyl]ethanamine (PubChem CID 63816477) has the molecular formula C14H11BrF3NO and a molecular weight of 346.15 g/mol. Its IUPAC name is 2-[4-(2-bromo-4-fluorophenoxy)-3,5-difluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-bromo-4-fluorophenoxy)-3,5-difluorophenyl]ethanamine
PubChem CID63816477
Molecular FormulaC14H11BrF3NO
Molecular Weight346.15 g/mol
Exact Mass345.00
IUPAC Name2-[4-(2-bromo-4-fluorophenoxy)-3,5-difluorophenyl]ethanamine
SMILESNCCc1cc(F)c(Oc2ccc(F)cc2Br)c(F)c1
InChIInChI=1S/C14H11BrF3NO/c15-10-7-9(16)1-2-13(10)20-14-11(17)5-8(3-4-19)6-12(14)18/h1-2,5-7H,3-4,19H2
InChIKeyJQZCZJIMIITXKT-UHFFFAOYSA-N
XLogP4.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.15
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-bromo-4-methylphenoxy)-3,5-difluorophenyl]ethanamine
CID 63801942
2-[4-(2-chloro-4-fluorophenoxy)-3,5-difluorophenyl]ethanamine
CID 63816437
2-[4-(2-bromo-4-fluorophenoxy)-3-chlorophenyl]ethanamine
CID 81166401
[4-(2,4-dibromophenoxy)-3,5-difluorophenyl]methanamine
CID 64720890
2-[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 80640534
2-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]ethanamine
CID 63802666
2-[4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]ethanamine
CID 63803798
2-[4-(5-bromo-2-methylphenoxy)-3,5-difluorophenyl]ethanamine
CID 107286734
2-[4-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanamine
CID 63816804
2-(2-bromo-4-fluorophenoxy)ethanamine
CID 22688771
2-[4-(3-bromophenoxy)-3,5-difluorophenyl]ethanamine
CID 63802444
2-[2-(2-bromophenoxy)-5-fluorophenyl]ethanamine
CID 63815572

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bromo-4-fluorophenoxy)-3,5-difluorophenyl]ethanamine?
The IUPAC name of 2-[4-(2-bromo-4-fluorophenoxy)-3,5-difluorophenyl]ethanamine (CID 63816477) is 2-[4-(2-bromo-4-fluorophenoxy)-3,5-difluorophenyl]ethanamine.
What is the SMILES notation for 2-[4-(2-bromo-4-fluorophenoxy)-3,5-difluorophenyl]ethanamine?
The canonical SMILES for 2-[4-(2-bromo-4-fluorophenoxy)-3,5-difluorophenyl]ethanamine is NCCc1cc(F)c(Oc2ccc(F)cc2Br)c(F)c1.
What is the InChIKey of 2-[4-(2-bromo-4-fluorophenoxy)-3,5-difluorophenyl]ethanamine?
The InChIKey is JQZCZJIMIITXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3NO/c15-10-7-9(16)1-2-13(10)20-14-11(17)5-8(3-4-19)6-12(14)18/h1-2,5-7H,3-4,19H2.
What are the key properties of 2-[4-(2-bromo-4-fluorophenoxy)-3,5-difluorophenyl]ethanamine?
2-[4-(2-bromo-4-fluorophenoxy)-3,5-difluorophenyl]ethanamine has a molecular weight of 346.15 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bromo-4-fluorophenoxy)-3,5-difluorophenyl]ethanamine is sourced from PubChem (CID 63816477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).