1-(5-bromo-2-fluorophenyl)-2-(4-bromophenyl)-N-methylethanamine

C15H14Br2FN — CID 63529120

IUPAC1-(5-bromo-2-fluorophenyl)-2-(4-bromophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1)c1cc(Br)ccc1F
InChIInChI=1S/C15H14Br2FN/c1-19-15(8-10-2-4-11(16)5-3-10)13-9-12(17)6-7-14(13)18/h2-7,9,15,19H,8H2,1H3
InChIKeyKONOQQOADXLRGL-UHFFFAOYSA-N
MW387.09 g/mol
LogP4.85
Rot. Bonds4

About 1-(5-bromo-2-fluorophenyl)-2-(4-bromophenyl)-N-methylethanamine

1-(5-bromo-2-fluorophenyl)-2-(4-bromophenyl)-N-methylethanamine (PubChem CID 63529120) has the molecular formula C15H14Br2FN and a molecular weight of 387.09 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-2-(4-bromophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-2-(4-bromophenyl)-N-methylethanamine
PubChem CID63529120
Molecular FormulaC15H14Br2FN
Molecular Weight387.09 g/mol
Exact Mass384.95
IUPAC Name1-(5-bromo-2-fluorophenyl)-2-(4-bromophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1)c1cc(Br)ccc1F
InChIInChI=1S/C15H14Br2FN/c1-19-15(8-10-2-4-11(16)5-3-10)13-9-12(17)6-7-14(13)18/h2-7,9,15,19H,8H2,1H3
InChIKeyKONOQQOADXLRGL-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-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-N-methylethanamine
CID 63527945
1-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61064541
1-(4-bromo-2-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 114906381
1-(5-bromo-2-chlorophenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 63527047
2-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-fluorophenyl)-N-methylethanamine
CID 114894718
1-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 114906488
1-(5-bromo-2-fluorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63528287
2-(4-chlorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine
CID 43482863
1-(2,5-difluorophenyl)-2-(4-ethylphenyl)-N-methylethanamine
CID 63673272
1-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 55223564
2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine
CID 62516727
1-(2,5-dibromophenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43482204

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-(4-bromophenyl)-N-methylethanamine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-(4-bromophenyl)-N-methylethanamine (CID 63529120) is 1-(5-bromo-2-fluorophenyl)-2-(4-bromophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-2-(4-bromophenyl)-N-methylethanamine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-2-(4-bromophenyl)-N-methylethanamine is CNC(Cc1ccc(Br)cc1)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-2-(4-bromophenyl)-N-methylethanamine?
The InChIKey is KONOQQOADXLRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2FN/c1-19-15(8-10-2-4-11(16)5-3-10)13-9-12(17)6-7-14(13)18/h2-7,9,15,19H,8H2,1H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-2-(4-bromophenyl)-N-methylethanamine?
1-(5-bromo-2-fluorophenyl)-2-(4-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-(5-bromo-2-fluorophenyl)-2-(4-bromophenyl)-N-methylethanamine is sourced from PubChem (CID 63529120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).