1-(2,4-dibromophenyl)-2-(4-ethylphenyl)-N-methylethanamine

C17H19Br2N — CID 107945186

IUPAC1-(2,4-dibromophenyl)-2-(4-ethylphenyl)-N-methylethanamine
SMILESCCc1ccc(CC(NC)c2ccc(Br)cc2Br)cc1
InChIInChI=1S/C17H19Br2N/c1-3-12-4-6-13(7-5-12)10-17(20-2)15-9-8-14(18)11-16(15)19/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyBJZPSGOLSOJOSZ-UHFFFAOYSA-N
MW397.15 g/mol
LogP5.28
Rot. Bonds5

About 1-(2,4-dibromophenyl)-2-(4-ethylphenyl)-N-methylethanamine

1-(2,4-dibromophenyl)-2-(4-ethylphenyl)-N-methylethanamine (PubChem CID 107945186) has the molecular formula C17H19Br2N and a molecular weight of 397.15 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-2-(4-ethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-2-(4-ethylphenyl)-N-methylethanamine
PubChem CID107945186
Molecular FormulaC17H19Br2N
Molecular Weight397.15 g/mol
Exact Mass394.99
IUPAC Name1-(2,4-dibromophenyl)-2-(4-ethylphenyl)-N-methylethanamine
SMILESCCc1ccc(CC(NC)c2ccc(Br)cc2Br)cc1
InChIInChI=1S/C17H19Br2N/c1-3-12-4-6-13(7-5-12)10-17(20-2)15-9-8-14(18)11-16(15)19/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyBJZPSGOLSOJOSZ-UHFFFAOYSA-N
XLogP5.28
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 ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dibromophenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 107945130
2-(5-bromo-3-pyridinyl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107946725
1-(2,5-dibromophenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43482204
2-(4-bromothiophen-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 114019256
1-(5-bromo-2-fluorophenyl)-2-(4-bromophenyl)-N-methylethanamine
CID 63529120
1-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61064541
1-(2,5-dibromophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115844386
N-[2-(4-chlorophenyl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107944998
1-(2,4-dibromophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 107946163
1-(2-bromo-5-methylphenyl)-2-(4-bromophenyl)-N-methylethanamine
CID 81112448
[1-(2,4-dibromophenyl)-2-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 107948137
1-(4-bromo-2-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 114906381

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-2-(4-ethylphenyl)-N-methylethanamine?
The IUPAC name of 1-(2,4-dibromophenyl)-2-(4-ethylphenyl)-N-methylethanamine (CID 107945186) is 1-(2,4-dibromophenyl)-2-(4-ethylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2,4-dibromophenyl)-2-(4-ethylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(2,4-dibromophenyl)-2-(4-ethylphenyl)-N-methylethanamine is CCc1ccc(CC(NC)c2ccc(Br)cc2Br)cc1.
What is the InChIKey of 1-(2,4-dibromophenyl)-2-(4-ethylphenyl)-N-methylethanamine?
The InChIKey is BJZPSGOLSOJOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br2N/c1-3-12-4-6-13(7-5-12)10-17(20-2)15-9-8-14(18)11-16(15)19/h4-9,11,17,20H,3,10H2,1-2H3.
What are the key properties of 1-(2,4-dibromophenyl)-2-(4-ethylphenyl)-N-methylethanamine?
1-(2,4-dibromophenyl)-2-(4-ethylphenyl)-N-methylethanamine has a molecular weight of 397.15 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-2-(4-ethylphenyl)-N-methylethanamine is sourced from PubChem (CID 107945186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).