1-(4-bromo-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine

C15H13BrF3N — CID 115809591

IUPAC1-(4-bromo-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)ccc1F)c1ccc(Br)c(F)c1
InChIInChI=1S/C15H13BrF3N/c1-20-15(9-2-4-12(16)14(19)7-9)8-10-6-11(17)3-5-13(10)18/h2-7,15,20H,8H2,1H3
InChIKeyZJAWCSQHIRTZTR-UHFFFAOYSA-N
MW344.17 g/mol
LogP4.37
Rot. Bonds4

About 1-(4-bromo-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine

1-(4-bromo-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine (PubChem CID 115809591) has the molecular formula C15H13BrF3N and a molecular weight of 344.17 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
PubChem CID115809591
Molecular FormulaC15H13BrF3N
Molecular Weight344.17 g/mol
Exact Mass343.02
IUPAC Name1-(4-bromo-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)ccc1F)c1ccc(Br)c(F)c1
InChIInChI=1S/C15H13BrF3N/c1-20-15(9-2-4-12(16)14(19)7-9)8-10-6-11(17)3-5-13(10)18/h2-7,15,20H,8H2,1H3
InChIKeyZJAWCSQHIRTZTR-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-3-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115810141
1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115810390
1-(3-bromo-4-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115810219
1-(3,5-dibromophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 107973909
2-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 115809738
1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-methylethanamine
CID 115786942
1-(4-bromo-3-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 63527917
1-(4-bromo-3-chlorophenyl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine
CID 103052923
2-(2-bromo-5-fluorophenyl)-1-(3-bromo-4-methylphenyl)-N-methylethanamine
CID 115843772
2-(2-bromo-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 115842981
2-(2-chloro-5-fluorophenyl)-1-(3,4-difluorophenyl)-N-methylethanamine
CID 102618536
2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylethanamine
CID 107974495

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine (CID 115809591) is 1-(4-bromo-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine is CNC(Cc1cc(F)ccc1F)c1ccc(Br)c(F)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine?
The InChIKey is ZJAWCSQHIRTZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3N/c1-20-15(9-2-4-12(16)14(19)7-9)8-10-6-11(17)3-5-13(10)18/h2-7,15,20H,8H2,1H3.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine?
1-(4-bromo-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine has a molecular weight of 344.17 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine is sourced from PubChem (CID 115809591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).