1-[2-(2-bromo-4-fluorophenoxy)-6-fluorophenyl]-N-methylethanamine

C15H14BrF2NO — CID 43285267

IUPAC1-[2-(2-bromo-4-fluorophenoxy)-6-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1c(F)cccc1Oc1ccc(F)cc1Br
InChIInChI=1S/C15H14BrF2NO/c1-9(19-2)15-12(18)4-3-5-14(15)20-13-7-6-10(17)8-11(13)16/h3-9,19H,1-2H3
InChIKeyUPNGBBJNXSPSEZ-UHFFFAOYSA-N
MW342.18 g/mol
LogP4.80
Rot. Bonds4

About 1-[2-(2-bromo-4-fluorophenoxy)-6-fluorophenyl]-N-methylethanamine

1-[2-(2-bromo-4-fluorophenoxy)-6-fluorophenyl]-N-methylethanamine (PubChem CID 43285267) has the molecular formula C15H14BrF2NO and a molecular weight of 342.18 g/mol. Its IUPAC name is 1-[2-(2-bromo-4-fluorophenoxy)-6-fluorophenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(2-bromo-4-fluorophenoxy)-6-fluorophenyl]-N-methylethanamine
PubChem CID43285267
Molecular FormulaC15H14BrF2NO
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Name1-[2-(2-bromo-4-fluorophenoxy)-6-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1c(F)cccc1Oc1ccc(F)cc1Br
InChIInChI=1S/C15H14BrF2NO/c1-9(19-2)15-12(18)4-3-5-14(15)20-13-7-6-10(17)8-11(13)16/h3-9,19H,1-2H3
InChIKeyUPNGBBJNXSPSEZ-UHFFFAOYSA-N
XLogP4.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-bromo-3-methylphenoxy)-6-fluorophenyl]-N-methylethanamine
CID 83140639
1-[2-(4-bromophenoxy)-6-fluorophenyl]-N-methylethanamine
CID 43285412
1-[2-fluoro-6-(4-methylphenoxy)phenyl]-N-methylethanamine
CID 43285104
1-[2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]ethanol
CID 43506537
1-[2-(2-bromo-4-methoxyphenoxy)-6-fluorophenyl]ethanol
CID 104707954
2-bromo-5-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline
CID 107633140
1-[2-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)phenyl]-N-methylethanamine
CID 66277200
1-[2-fluoro-6-(3-methylbutoxy)phenyl]-N-methylethanamine
CID 43285076
1-[2-fluoro-6-(1-phenylethoxy)phenyl]-N-methylethanamine
CID 43285066
1-[2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]-N-methylethanamine
CID 62074641
1-[3-bromo-4-(2,3-dimethylphenoxy)phenyl]-N-methylethanamine
CID 63531961
N-[[2-(2-bromo-4-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 43282598

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromo-4-fluorophenoxy)-6-fluorophenyl]-N-methylethanamine?
The IUPAC name of 1-[2-(2-bromo-4-fluorophenoxy)-6-fluorophenyl]-N-methylethanamine (CID 43285267) is 1-[2-(2-bromo-4-fluorophenoxy)-6-fluorophenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(2-bromo-4-fluorophenoxy)-6-fluorophenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-(2-bromo-4-fluorophenoxy)-6-fluorophenyl]-N-methylethanamine is CNC(C)c1c(F)cccc1Oc1ccc(F)cc1Br.
What is the InChIKey of 1-[2-(2-bromo-4-fluorophenoxy)-6-fluorophenyl]-N-methylethanamine?
The InChIKey is UPNGBBJNXSPSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO/c1-9(19-2)15-12(18)4-3-5-14(15)20-13-7-6-10(17)8-11(13)16/h3-9,19H,1-2H3.
What are the key properties of 1-[2-(2-bromo-4-fluorophenoxy)-6-fluorophenyl]-N-methylethanamine?
1-[2-(2-bromo-4-fluorophenoxy)-6-fluorophenyl]-N-methylethanamine has a molecular weight of 342.18 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromo-4-fluorophenoxy)-6-fluorophenyl]-N-methylethanamine is sourced from PubChem (CID 43285267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).