2-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine

C14H12BrF2NO — CID 81326172

IUPAC2-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine
SMILESNCCc1cc(F)ccc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C14H12BrF2NO/c15-10-6-12(17)8-13(7-10)19-14-2-1-11(16)5-9(14)3-4-18/h1-2,5-8H,3-4,18H2
InChIKeyGWLJTDMJHDCIIZ-UHFFFAOYSA-N
MW328.16 g/mol
LogP4.02
Rot. Bonds4

About 2-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine

2-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine (PubChem CID 81326172) has the molecular formula C14H12BrF2NO and a molecular weight of 328.16 g/mol. Its IUPAC name is 2-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine
PubChem CID81326172
Molecular FormulaC14H12BrF2NO
Molecular Weight328.16 g/mol
Exact Mass327.01
IUPAC Name2-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine
SMILESNCCc1cc(F)ccc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C14H12BrF2NO/c15-10-6-12(17)8-13(7-10)19-14-2-1-11(16)5-9(14)3-4-18/h1-2,5-8H,3-4,18H2
InChIKeyGWLJTDMJHDCIIZ-UHFFFAOYSA-N
XLogP4.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(3-bromo-5-fluorophenoxy)-5-chlorophenyl]ethanamine
CID 114863369
2-[4-bromo-2-(3-bromo-5-fluorophenoxy)phenyl]ethanamine
CID 81325869
2-[4-(3-bromo-5-fluorophenoxy)-3-methylphenyl]ethanamine
CID 81326331
2-[2-(2-bromophenoxy)-5-fluorophenyl]ethanamine
CID 63815572
2-[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]ethanamine
CID 63802635
4-(3-bromo-5-fluorophenoxy)-3-fluoroaniline
CID 81321851
2-[2-(4-ethylphenoxy)-5-fluorophenyl]ethanamine
CID 63817525
[2-(3-bromo-5-fluorophenoxy)phenyl]methanol
CID 81331819
2-[5-fluoro-2-(4-propoxyphenoxy)phenyl]ethanamine
CID 63815036
2-[5-fluoro-2-(5-fluoro-2-methylphenoxy)phenyl]ethanamine
CID 102990405
1-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 81331401
1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-2-amine
CID 81325789

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine?
The IUPAC name of 2-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine (CID 81326172) is 2-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine?
The canonical SMILES for 2-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine is NCCc1cc(F)ccc1Oc1cc(F)cc(Br)c1.
What is the InChIKey of 2-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine?
The InChIKey is GWLJTDMJHDCIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO/c15-10-6-12(17)8-13(7-10)19-14-2-1-11(16)5-9(14)3-4-18/h1-2,5-8H,3-4,18H2.
What are the key properties of 2-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine?
2-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine has a molecular weight of 328.16 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine is sourced from PubChem (CID 81326172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).