2-(5-bromo-2-methoxyphenyl)-1-(2-bromophenyl)-N-ethylethanamine

C17H19Br2NO — CID 63417209

IUPAC2-(5-bromo-2-methoxyphenyl)-1-(2-bromophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(Br)ccc1OC)c1ccccc1Br
InChIInChI=1S/C17H19Br2NO/c1-3-20-16(14-6-4-5-7-15(14)19)11-12-10-13(18)8-9-17(12)21-2/h4-10,16,20H,3,11H2,1-2H3
InChIKeyKWRRFDSPNQBQSI-UHFFFAOYSA-N
MW413.15 g/mol
LogP5.11
Rot. Bonds6

About 2-(5-bromo-2-methoxyphenyl)-1-(2-bromophenyl)-N-ethylethanamine

2-(5-bromo-2-methoxyphenyl)-1-(2-bromophenyl)-N-ethylethanamine (PubChem CID 63417209) has the molecular formula C17H19Br2NO and a molecular weight of 413.15 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-1-(2-bromophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-1-(2-bromophenyl)-N-ethylethanamine
PubChem CID63417209
Molecular FormulaC17H19Br2NO
Molecular Weight413.15 g/mol
Exact Mass410.98
IUPAC Name2-(5-bromo-2-methoxyphenyl)-1-(2-bromophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(Br)ccc1OC)c1ccccc1Br
InChIInChI=1S/C17H19Br2NO/c1-3-20-16(14-6-4-5-7-15(14)19)11-12-10-13(18)8-9-17(12)21-2/h4-10,16,20H,3,11H2,1-2H3
InChIKeyKWRRFDSPNQBQSI-UHFFFAOYSA-N
XLogP5.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.15
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine
CID 115817250
1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)-N-ethylethanamine
CID 115817423
[1-(3-bromo-2-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethyl]hydrazine
CID 105290179
2-(5-bromo-2-methoxyphenyl)-N-ethyl-1-(5-ethylfuran-2-yl)ethanamine
CID 115817184
2-(5-bromo-2-methoxyphenyl)-N-ethyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105110441
1-(5-bromo-2-methoxyphenyl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 63507204
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 63418096
1-(5-bromo-2-methoxyphenyl)-N-ethyl-3,4-dimethylpentan-2-amine
CID 115817634
1-(2-bromophenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 62603943
1-(2-bromo-3-methylphenyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 107982814
1-(2-bromo-4-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)-N-methylethanamine
CID 107992250
2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 65325071

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(2-bromophenyl)-N-ethylethanamine?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(2-bromophenyl)-N-ethylethanamine (CID 63417209) is 2-(5-bromo-2-methoxyphenyl)-1-(2-bromophenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-1-(2-bromophenyl)-N-ethylethanamine?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-1-(2-bromophenyl)-N-ethylethanamine is CCNC(Cc1cc(Br)ccc1OC)c1ccccc1Br.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-1-(2-bromophenyl)-N-ethylethanamine?
The InChIKey is KWRRFDSPNQBQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br2NO/c1-3-20-16(14-6-4-5-7-15(14)19)11-12-10-13(18)8-9-17(12)21-2/h4-10,16,20H,3,11H2,1-2H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-1-(2-bromophenyl)-N-ethylethanamine?
2-(5-bromo-2-methoxyphenyl)-1-(2-bromophenyl)-N-ethylethanamine has a molecular weight of 413.15 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-1-(2-bromophenyl)-N-ethylethanamine is sourced from PubChem (CID 63417209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).