1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-methylethanamine

C15H14Br2FN — CID 115786942

IUPAC1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1Br)c1ccc(Br)c(F)c1
InChIInChI=1S/C15H14Br2FN/c1-19-15(9-10-4-2-3-5-12(10)16)11-6-7-13(17)14(18)8-11/h2-8,15,19H,9H2,1H3
InChIKeyUBZBWGOVYKNUBC-UHFFFAOYSA-N
MW387.09 g/mol
LogP4.85
Rot. Bonds4

About 1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-methylethanamine

1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-methylethanamine (PubChem CID 115786942) has the molecular formula C15H14Br2FN and a molecular weight of 387.09 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-methylethanamine
PubChem CID115786942
Molecular FormulaC15H14Br2FN
Molecular Weight387.09 g/mol
Exact Mass384.95
IUPAC Name1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1Br)c1ccc(Br)c(F)c1
InChIInChI=1S/C15H14Br2FN/c1-19-15(9-10-4-2-3-5-12(10)16)11-6-7-13(17)14(18)8-11/h2-8,15,19H,9H2,1H3
InChIKeyUBZBWGOVYKNUBC-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.09
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-ethylethanamine
CID 115787521
2-(2-bromophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 115787208
2-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 60817908
1-(4-bromo-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115809591
2-(2-bromophenyl)-N-methyl-1-phenylethanamine
CID 60820242
1-(4-bromo-3-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 63527917
1-(3,4-difluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 43484603
2-(2-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine
CID 115787083
1-(4-bromo-3-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 115864029
2-(2-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylethanamine
CID 115787231
1-(4-bromo-3-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115864881
1-(4-bromo-3-fluorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66447661

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-methylethanamine?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-methylethanamine (CID 115786942) is 1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-methylethanamine?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-methylethanamine is CNC(Cc1ccccc1Br)c1ccc(Br)c(F)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-methylethanamine?
The InChIKey is UBZBWGOVYKNUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2FN/c1-19-15(9-10-4-2-3-5-12(10)16)11-6-7-13(17)14(18)8-11/h2-8,15,19H,9H2,1H3.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-methylethanamine?
1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-methylethanamine has a molecular weight of 387.09 g/mol, XLogP of 4.85, 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-bromophenyl)-N-methylethanamine is sourced from PubChem (CID 115786942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).