1-(2,5-dibromophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine

C16H16Br2FNO — CID 115830032

IUPAC1-(2,5-dibromophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(OC)c(F)c1)c1cc(Br)ccc1Br
InChIInChI=1S/C16H16Br2FNO/c1-20-15(12-9-11(17)4-5-13(12)18)8-10-3-6-16(21-2)14(19)7-10/h3-7,9,15,20H,8H2,1-2H3
InChIKeyLIXUIEGSSFXEII-UHFFFAOYSA-N
MW417.12 g/mol
LogP4.86
Rot. Bonds5

About 1-(2,5-dibromophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine

1-(2,5-dibromophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine (PubChem CID 115830032) has the molecular formula C16H16Br2FNO and a molecular weight of 417.12 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
PubChem CID115830032
Molecular FormulaC16H16Br2FNO
Molecular Weight417.12 g/mol
Exact Mass414.96
IUPAC Name1-(2,5-dibromophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(OC)c(F)c1)c1cc(Br)ccc1Br
InChIInChI=1S/C16H16Br2FNO/c1-20-15(12-9-11(17)4-5-13(12)18)8-10-3-6-16(21-2)14(19)7-10/h3-7,9,15,20H,8H2,1-2H3
InChIKeyLIXUIEGSSFXEII-UHFFFAOYSA-N
XLogP4.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.12
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine
CID 115818264
1-(4-bromo-2-methoxyphenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 115369427
[1-(5-bromo-2-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105292972
2-(3-fluoro-4-methoxyphenyl)-1-(2-fluoro-4-methylphenyl)-N-methylethanamine
CID 115829524
2-(3-bromo-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 115818343
2-(3-fluoro-4-methoxyphenyl)-1-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 62605096
1-(2,5-dibromophenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43482204
2-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine
CID 43485689
1-(4-bromo-2-methoxyphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105412591
1-(4-bromo-2-methoxyphenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 115369429
2-(3-bromo-4-methoxyphenyl)-1-(2,5-difluorophenyl)-N-methylethanamine
CID 63673603
1-(2,6-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 79516326

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(2,5-dibromophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine (CID 115830032) is 1-(2,5-dibromophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2,5-dibromophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(2,5-dibromophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine is CNC(Cc1ccc(OC)c(F)c1)c1cc(Br)ccc1Br.
What is the InChIKey of 1-(2,5-dibromophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine?
The InChIKey is LIXUIEGSSFXEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2FNO/c1-20-15(12-9-11(17)4-5-13(12)18)8-10-3-6-16(21-2)14(19)7-10/h3-7,9,15,20H,8H2,1-2H3.
What are the key properties of 1-(2,5-dibromophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine?
1-(2,5-dibromophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine has a molecular weight of 417.12 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 115830032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).