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

C15H13Br3FN — CID 107974495

IUPAC2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)ccc1Br)c1cc(Br)cc(Br)c1
InChIInChI=1S/C15H13Br3FN/c1-20-15(10-4-11(16)8-12(17)5-10)7-9-6-13(19)2-3-14(9)18/h2-6,8,15,20H,7H2,1H3
InChIKeyJSDBUEHQRBKQNN-UHFFFAOYSA-N
MW465.99 g/mol
LogP5.62
Rot. Bonds4

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

2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylethanamine (PubChem CID 107974495) has the molecular formula C15H13Br3FN and a molecular weight of 465.99 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylethanamine
PubChem CID107974495
Molecular FormulaC15H13Br3FN
Molecular Weight465.99 g/mol
Exact Mass462.86
IUPAC Name2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)ccc1Br)c1cc(Br)cc(Br)c1
InChIInChI=1S/C15H13Br3FN/c1-20-15(10-4-11(16)8-12(17)5-10)7-9-6-13(19)2-3-14(9)18/h2-6,8,15,20H,7H2,1H3
InChIKeyJSDBUEHQRBKQNN-UHFFFAOYSA-N
XLogP5.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.99
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromo-5-fluorophenyl)-1-(3-bromo-5-methylphenyl)-N-methylethanamine
CID 115843582
1-(3,5-dibromophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 107973909
2-(2-bromo-5-fluorophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 115843550
1-(4-bromo-3,5-dimethylphenyl)-2-(2-bromo-5-fluorophenyl)-N-methylethanamine
CID 114330377
2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-ethylethanamine
CID 107974490
2-(2-bromo-5-fluorophenyl)-1-(3-bromo-4-methylphenyl)-N-methylethanamine
CID 115843772
1-(3-bromo-5-fluorophenyl)-2-(2,3-difluorophenyl)-N-methylethanamine
CID 66424445
2-(2-bromo-5-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine
CID 115843631
1-(4-bromo-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115809591
1-(3-bromo-5-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 107946919
1-(3-bromo-5-methylphenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 115840406
1-(3-bromo-5-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)-N-methylethanamine
CID 66426032

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylethanamine?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylethanamine (CID 107974495) is 2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylethanamine is CNC(Cc1cc(F)ccc1Br)c1cc(Br)cc(Br)c1.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylethanamine?
The InChIKey is JSDBUEHQRBKQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br3FN/c1-20-15(10-4-11(16)8-12(17)5-10)7-9-6-13(19)2-3-14(9)18/h2-6,8,15,20H,7H2,1H3.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylethanamine?
2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylethanamine has a molecular weight of 465.99 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylethanamine is sourced from PubChem (CID 107974495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).