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

C17H19Br2N — CID 115787106

IUPAC1-(2-bromo-5-methylphenyl)-2-(2-bromophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccccc1Br)c1cc(C)ccc1Br
InChIInChI=1S/C17H19Br2N/c1-3-20-17(11-13-6-4-5-7-15(13)18)14-10-12(2)8-9-16(14)19/h4-10,17,20H,3,11H2,1-2H3
InChIKeyBPUAHLUFRDAXNQ-UHFFFAOYSA-N
MW397.15 g/mol
LogP5.41
Rot. Bonds5

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

1-(2-bromo-5-methylphenyl)-2-(2-bromophenyl)-N-ethylethanamine (PubChem CID 115787106) has the molecular formula C17H19Br2N and a molecular weight of 397.15 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)-2-(2-bromophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)-2-(2-bromophenyl)-N-ethylethanamine
PubChem CID115787106
Molecular FormulaC17H19Br2N
Molecular Weight397.15 g/mol
Exact Mass394.99
IUPAC Name1-(2-bromo-5-methylphenyl)-2-(2-bromophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccccc1Br)c1cc(C)ccc1Br
InChIInChI=1S/C17H19Br2N/c1-3-20-17(11-13-6-4-5-7-15(13)18)14-10-12(2)8-9-16(14)19/h4-10,17,20H,3,11H2,1-2H3
InChIKeyBPUAHLUFRDAXNQ-UHFFFAOYSA-N
XLogP5.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.15
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromo-3-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine
CID 105020475
2-(2-bromophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-ethylethanamine
CID 115787263
2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
CID 115787466
1-(2-bromo-5-methylphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 81111195
1-(2-bromo-5-methylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 115834278
1-(2,4-dimethylphenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 43489975
1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-ethylethanamine
CID 115787521
N-ethyl-1-(2-fluoro-5-methylphenyl)-2-(2-methylphenyl)ethanamine
CID 63416854
2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine
CID 105015550
2-(2-bromo-5-fluorophenyl)-1-(2,4-dimethylphenyl)-N-ethylethanamine
CID 115843807
2-(2-bromo-4-fluorophenyl)-1-(2-bromo-5-fluorophenyl)-N-ethylethanamine
CID 115843155
1-(2-bromo-5-methylphenyl)-N-ethylpent-4-yn-1-amine
CID 115859283

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)-2-(2-bromophenyl)-N-ethylethanamine?
The IUPAC name of 1-(2-bromo-5-methylphenyl)-2-(2-bromophenyl)-N-ethylethanamine (CID 115787106) is 1-(2-bromo-5-methylphenyl)-2-(2-bromophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)-2-(2-bromophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)-2-(2-bromophenyl)-N-ethylethanamine is CCNC(Cc1ccccc1Br)c1cc(C)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)-2-(2-bromophenyl)-N-ethylethanamine?
The InChIKey is BPUAHLUFRDAXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br2N/c1-3-20-17(11-13-6-4-5-7-15(13)18)14-10-12(2)8-9-16(14)19/h4-10,17,20H,3,11H2,1-2H3.
What are the key properties of 1-(2-bromo-5-methylphenyl)-2-(2-bromophenyl)-N-ethylethanamine?
1-(2-bromo-5-methylphenyl)-2-(2-bromophenyl)-N-ethylethanamine has a molecular weight of 397.15 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methylphenyl)-2-(2-bromophenyl)-N-ethylethanamine is sourced from PubChem (CID 115787106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).