2-(2-bromo-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine

C16H15BrF3N — CID 63418093

IUPAC2-(2-bromo-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(F)ccc1Br)c1ccc(F)cc1F
InChIInChI=1S/C16H15BrF3N/c1-2-21-16(13-5-3-12(19)9-15(13)20)8-10-7-11(18)4-6-14(10)17/h3-7,9,16,21H,2,8H2,1H3
InChIKeyKKMJWFDFVGVZTK-UHFFFAOYSA-N
MW358.20 g/mol
LogP4.76
Rot. Bonds5

About 2-(2-bromo-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine

2-(2-bromo-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine (PubChem CID 63418093) has the molecular formula C16H15BrF3N and a molecular weight of 358.20 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine
PubChem CID63418093
Molecular FormulaC16H15BrF3N
Molecular Weight358.20 g/mol
Exact Mass357.03
IUPAC Name2-(2-bromo-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(F)ccc1Br)c1ccc(F)cc1F
InChIInChI=1S/C16H15BrF3N/c1-2-21-16(13-5-3-12(19)9-15(13)20)8-10-7-11(18)4-6-14(10)17/h3-7,9,16,21H,2,8H2,1H3
InChIKeyKKMJWFDFVGVZTK-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-bis(2,4-difluorophenyl)-N-ethylethanamine
CID 63084221
2-(2-bromo-5-fluorophenyl)-1-(2,4-dimethylphenyl)-N-ethylethanamine
CID 115843807
2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-ethylethanamine
CID 107974490
2-(4-chloro-2-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine
CID 114855582
2-(2-bromo-4-fluorophenyl)-1-(2-bromo-5-fluorophenyl)-N-ethylethanamine
CID 115843155
1-(2-bromo-5-fluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051093
2-(2-bromo-4-fluorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 63673611
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(5-methylfuran-2-yl)ethanamine
CID 115843716
[2-(2-bromo-5-fluorophenyl)-1-(4-bromo-2-fluorophenyl)ethyl]hydrazine
CID 105280999
2-(2-bromo-5-fluorophenyl)-1-(3,4-dichlorophenyl)-N-ethylethanamine
CID 81494920
1-(3-bromo-4-chlorophenyl)-2-(2-bromo-5-fluorophenyl)-N-ethylethanamine
CID 115567661
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
CID 115843751

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine (CID 63418093) is 2-(2-bromo-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine is CCNC(Cc1cc(F)ccc1Br)c1ccc(F)cc1F.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine?
The InChIKey is KKMJWFDFVGVZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrF3N/c1-2-21-16(13-5-3-12(19)9-15(13)20)8-10-7-11(18)4-6-14(10)17/h3-7,9,16,21H,2,8H2,1H3.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine?
2-(2-bromo-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine has a molecular weight of 358.20 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine is sourced from PubChem (CID 63418093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).