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

C16H16Br3NO — CID 115862414

IUPAC2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(OC)ccc1Br)c1cc(Br)ccc1Br
InChIInChI=1S/C16H16Br3NO/c1-20-16(13-9-11(17)3-5-15(13)19)8-10-7-12(21-2)4-6-14(10)18/h3-7,9,16,20H,8H2,1-2H3
InChIKeyLRZSZIDKRCKBKT-UHFFFAOYSA-N
MW478.02 g/mol
LogP5.49
Rot. Bonds5

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

2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine (PubChem CID 115862414) has the molecular formula C16H16Br3NO and a molecular weight of 478.02 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine
PubChem CID115862414
Molecular FormulaC16H16Br3NO
Molecular Weight478.02 g/mol
Exact Mass474.88
IUPAC Name2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(OC)ccc1Br)c1cc(Br)ccc1Br
InChIInChI=1S/C16H16Br3NO/c1-20-16(13-9-11(17)3-5-15(13)19)8-10-7-12(21-2)4-6-14(10)18/h3-7,9,16,20H,8H2,1-2H3
InChIKeyLRZSZIDKRCKBKT-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

2-(2-bromo-5-methoxyphenyl)-1-(2-bromo-3-methylphenyl)-N-methylethanamine
CID 107985010
2-(2-bromo-5-methoxyphenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 65325112
2-(2-bromo-5-methoxyphenyl)-1-(5-chloro-2-methylphenyl)-N-methylethanamine
CID 115862271
2-(2-bromo-5-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 65325450
1-(2-bromo-5-methoxyphenyl)-2-(2,5-dichlorophenyl)-N-methylethanamine
CID 105151508
1-(2-bromo-5-methoxyphenyl)-2-(2,4-dichlorophenyl)-N-methylethanamine
CID 105132934
1-(2-bromo-5-methoxyphenyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 102867365
2-(2-bromo-5-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine
CID 115862130
2-(2-bromo-5-methoxyphenyl)-N-methyl-1-thiophen-2-ylethanamine
CID 65325546
1-(2-bromo-5-methoxyphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105376965
1-(2-bromo-5-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61065958
2-(2-bromo-5-methoxyphenyl)-2-(methylamino)ethanol
CID 103845987

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine (CID 115862414) is 2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine is CNC(Cc1cc(OC)ccc1Br)c1cc(Br)ccc1Br.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine?
The InChIKey is LRZSZIDKRCKBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br3NO/c1-20-16(13-9-11(17)3-5-15(13)19)8-10-7-12(21-2)4-6-14(10)18/h3-7,9,16,20H,8H2,1-2H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine?
2-(2-bromo-5-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-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine is sourced from PubChem (CID 115862414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).