2-(2-bromo-4-fluorophenyl)-1-(3-bromo-2-methylphenyl)-N-ethylethanamine

C17H18Br2FN — CID 115843094

IUPAC2-(2-bromo-4-fluorophenyl)-1-(3-bromo-2-methylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(F)cc1Br)c1cccc(Br)c1C
InChIInChI=1S/C17H18Br2FN/c1-3-21-17(14-5-4-6-15(18)11(14)2)9-12-7-8-13(20)10-16(12)19/h4-8,10,17,21H,3,9H2,1-2H3
InChIKeyCCKHKWYFPPWKCK-UHFFFAOYSA-N
MW415.14 g/mol
LogP5.55
Rot. Bonds5

About 2-(2-bromo-4-fluorophenyl)-1-(3-bromo-2-methylphenyl)-N-ethylethanamine

2-(2-bromo-4-fluorophenyl)-1-(3-bromo-2-methylphenyl)-N-ethylethanamine (PubChem CID 115843094) has the molecular formula C17H18Br2FN and a molecular weight of 415.14 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-1-(3-bromo-2-methylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-1-(3-bromo-2-methylphenyl)-N-ethylethanamine
PubChem CID115843094
Molecular FormulaC17H18Br2FN
Molecular Weight415.14 g/mol
Exact Mass412.98
IUPAC Name2-(2-bromo-4-fluorophenyl)-1-(3-bromo-2-methylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(F)cc1Br)c1cccc(Br)c1C
InChIInChI=1S/C17H18Br2FN/c1-3-21-17(14-5-4-6-15(18)11(14)2)9-12-7-8-13(20)10-16(12)19/h4-8,10,17,21H,3,9H2,1-2H3
InChIKeyCCKHKWYFPPWKCK-UHFFFAOYSA-N
XLogP5.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.14
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromo-4-fluorophenyl)-1-(2-bromo-5-fluorophenyl)-N-ethylethanamine
CID 115843155
2-(2-bromo-4-fluorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 63673611
1-(3-bromo-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105050985
2-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-N-ethylethanamine
CID 64560633
1-(2-bromo-3-fluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051314
1-(2-bromo-5-fluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051093
2-(2,5-difluorophenyl)-1-(2,3-dimethylphenyl)-N-ethylethanamine
CID 115809563
2-(2-bromo-4-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine
CID 115843123
2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 115843076
2-(2-bromo-4-fluorophenyl)-1-(4-chlorophenyl)-N-ethylethanamine
CID 63414075
2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 65360132
1-(2-bromo-4-fluorophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine
CID 107309221

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(3-bromo-2-methylphenyl)-N-ethylethanamine?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(3-bromo-2-methylphenyl)-N-ethylethanamine (CID 115843094) is 2-(2-bromo-4-fluorophenyl)-1-(3-bromo-2-methylphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-1-(3-bromo-2-methylphenyl)-N-ethylethanamine?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-1-(3-bromo-2-methylphenyl)-N-ethylethanamine is CCNC(Cc1ccc(F)cc1Br)c1cccc(Br)c1C.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-1-(3-bromo-2-methylphenyl)-N-ethylethanamine?
The InChIKey is CCKHKWYFPPWKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Br2FN/c1-3-21-17(14-5-4-6-15(18)11(14)2)9-12-7-8-13(20)10-16(12)19/h4-8,10,17,21H,3,9H2,1-2H3.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-1-(3-bromo-2-methylphenyl)-N-ethylethanamine?
2-(2-bromo-4-fluorophenyl)-1-(3-bromo-2-methylphenyl)-N-ethylethanamine has a molecular weight of 415.14 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-1-(3-bromo-2-methylphenyl)-N-ethylethanamine is sourced from PubChem (CID 115843094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).