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

C16H16Br3NO — CID 115818264

IUPAC2-(3-bromo-4-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(OC)c(Br)c1)c1cc(Br)ccc1Br
InChIInChI=1S/C16H16Br3NO/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
InChIKeyAKOFDTSBCZVJIB-UHFFFAOYSA-N
MW478.02 g/mol
LogP5.49
Rot. Bonds5

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

2-(3-bromo-4-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine (PubChem CID 115818264) has the molecular formula C16H16Br3NO and a molecular weight of 478.02 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine
PubChem CID115818264
Molecular FormulaC16H16Br3NO
Molecular Weight478.02 g/mol
Exact Mass474.88
IUPAC Name2-(3-bromo-4-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(OC)c(Br)c1)c1cc(Br)ccc1Br
InChIInChI=1S/C16H16Br3NO/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
InChIKeyAKOFDTSBCZVJIB-UHFFFAOYSA-N
XLogP5.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.02
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dibromophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 115830032
1-(2,5-dibromophenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43482204
2-(3-bromo-4-methoxyphenyl)-1-(2,5-difluorophenyl)-N-methylethanamine
CID 63673603
2-(3-bromo-4-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine
CID 115818212
1-(3-bromo-2-fluorophenyl)-2-(3-bromo-4-methoxyphenyl)-N-methylethanamine
CID 107952546
1-(3-bromo-4-methoxyphenyl)-2-(4-bromophenyl)-N-methylethanamine
CID 43479969
[1-(5-bromo-2-chlorophenyl)-2-(3-bromo-4-methoxyphenyl)ethyl]hydrazine
CID 105290245
1-(2,5-dibromophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115844386
1-(4-bromo-2-methoxyphenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 115369429
1-(4-bromo-2-methoxyphenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 115369427
2-(3-bromo-4-methoxyphenyl)-1-(2,6-dichlorophenyl)-N-methylethanamine
CID 115818010
2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine
CID 115862414

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine (CID 115818264) is 2-(3-bromo-4-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine is CNC(Cc1ccc(OC)c(Br)c1)c1cc(Br)ccc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine?
The InChIKey is AKOFDTSBCZVJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br3NO/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 2-(3-bromo-4-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine?
2-(3-bromo-4-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine has a molecular weight of 478.02 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine is sourced from PubChem (CID 115818264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).