2-[4-(4-bromo-2-fluorophenoxy)-3-fluorophenyl]ethanamine

C14H12BrF2NO — CID 55238749

IUPAC2-[4-(4-bromo-2-fluorophenoxy)-3-fluorophenyl]ethanamine
SMILESNCCc1ccc(Oc2ccc(Br)cc2F)c(F)c1
InChIInChI=1S/C14H12BrF2NO/c15-10-2-4-14(12(17)8-10)19-13-3-1-9(5-6-18)7-11(13)16/h1-4,7-8H,5-6,18H2
InChIKeyBGQVUKHIFOFQHB-UHFFFAOYSA-N
MW328.16 g/mol
LogP4.02
Rot. Bonds4

About 2-[4-(4-bromo-2-fluorophenoxy)-3-fluorophenyl]ethanamine

2-[4-(4-bromo-2-fluorophenoxy)-3-fluorophenyl]ethanamine (PubChem CID 55238749) has the molecular formula C14H12BrF2NO and a molecular weight of 328.16 g/mol. Its IUPAC name is 2-[4-(4-bromo-2-fluorophenoxy)-3-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-bromo-2-fluorophenoxy)-3-fluorophenyl]ethanamine
PubChem CID55238749
Molecular FormulaC14H12BrF2NO
Molecular Weight328.16 g/mol
Exact Mass327.01
IUPAC Name2-[4-(4-bromo-2-fluorophenoxy)-3-fluorophenyl]ethanamine
SMILESNCCc1ccc(Oc2ccc(Br)cc2F)c(F)c1
InChIInChI=1S/C14H12BrF2NO/c15-10-2-4-14(12(17)8-10)19-13-3-1-9(5-6-18)7-11(13)16/h1-4,7-8H,5-6,18H2
InChIKeyBGQVUKHIFOFQHB-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-[4-(4-bromo-2-fluorophenoxy)-3-methylphenyl]ethanamine
CID 55238939
2-[4-(5-bromo-2,3-difluorophenoxy)-3-fluorophenyl]ethanamine
CID 107102021
2-[2-(4-bromo-2-fluorophenoxy)-5-chlorophenyl]ethanamine
CID 114862686
[4-bromo-2-(4-bromo-2-fluorophenoxy)phenyl]methanamine
CID 43365001
[4-(2,4-dibromophenoxy)-3-fluorophenyl]methanol
CID 64720660
2-[4-(5-bromo-2,3-difluorophenoxy)-3-methylphenyl]ethanamine
CID 107102003
2-[4-(2-ethoxyphenoxy)-3-fluorophenyl]ethanamine
CID 63817515
2-(4-bromo-3-fluorophenyl)ethanamine
CID 66915310
2-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanamine
CID 107171074
2-[4-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 107692866
4-(5-bromo-2-fluorophenoxy)-3-fluoroaniline
CID 114671642
1-[4-(5-bromo-2-fluorophenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 114674328

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromo-2-fluorophenoxy)-3-fluorophenyl]ethanamine?
The IUPAC name of 2-[4-(4-bromo-2-fluorophenoxy)-3-fluorophenyl]ethanamine (CID 55238749) is 2-[4-(4-bromo-2-fluorophenoxy)-3-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[4-(4-bromo-2-fluorophenoxy)-3-fluorophenyl]ethanamine?
The canonical SMILES for 2-[4-(4-bromo-2-fluorophenoxy)-3-fluorophenyl]ethanamine is NCCc1ccc(Oc2ccc(Br)cc2F)c(F)c1.
What is the InChIKey of 2-[4-(4-bromo-2-fluorophenoxy)-3-fluorophenyl]ethanamine?
The InChIKey is BGQVUKHIFOFQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO/c15-10-2-4-14(12(17)8-10)19-13-3-1-9(5-6-18)7-11(13)16/h1-4,7-8H,5-6,18H2.
What are the key properties of 2-[4-(4-bromo-2-fluorophenoxy)-3-fluorophenyl]ethanamine?
2-[4-(4-bromo-2-fluorophenoxy)-3-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-[4-(4-bromo-2-fluorophenoxy)-3-fluorophenyl]ethanamine is sourced from PubChem (CID 55238749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).