2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-ethylethanamine

C16H15Br3FN — CID 107974490

IUPAC2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(F)ccc1Br)c1cc(Br)cc(Br)c1
InChIInChI=1S/C16H15Br3FN/c1-2-21-16(11-5-12(17)9-13(18)6-11)8-10-7-14(20)3-4-15(10)19/h3-7,9,16,21H,2,8H2,1H3
InChIKeyAPAICDHNAOZOOC-UHFFFAOYSA-N
MW480.01 g/mol
LogP6.01
Rot. Bonds5

About 2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-ethylethanamine

2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-ethylethanamine (PubChem CID 107974490) has the molecular formula C16H15Br3FN and a molecular weight of 480.01 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-ethylethanamine
PubChem CID107974490
Molecular FormulaC16H15Br3FN
Molecular Weight480.01 g/mol
Exact Mass476.87
IUPAC Name2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(F)ccc1Br)c1cc(Br)cc(Br)c1
InChIInChI=1S/C16H15Br3FN/c1-2-21-16(11-5-12(17)9-13(18)6-11)8-10-7-14(20)3-4-15(10)19/h3-7,9,16,21H,2,8H2,1H3
InChIKeyAPAICDHNAOZOOC-UHFFFAOYSA-N
XLogP6.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.01
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)-N-ethylethanamine
CID 107974114
2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylethanamine
CID 107974495
2-(2-chloro-4-fluorophenyl)-1-(3,5-dibromophenyl)-N-ethylethanamine
CID 107974364
2-(2-bromo-5-fluorophenyl)-1-(3,4-dichlorophenyl)-N-ethylethanamine
CID 81494920
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
CID 115843751
1-(3-bromo-4-chlorophenyl)-2-(2-bromo-5-fluorophenyl)-N-ethylethanamine
CID 115567661
2-(2-bromo-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine
CID 63418093
2-(2-bromo-5-fluorophenyl)-1-(3-bromo-5-methylphenyl)-N-methylethanamine
CID 115843582
1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 63526719
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(5-methylfuran-2-yl)ethanamine
CID 115843716
2-(2-bromo-5-fluorophenyl)-1-(2,4-dimethylphenyl)-N-ethylethanamine
CID 115843807
1-(4-bromo-3-methylphenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine
CID 102622870

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-ethylethanamine?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-ethylethanamine (CID 107974490) is 2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-ethylethanamine?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-ethylethanamine is CCNC(Cc1cc(F)ccc1Br)c1cc(Br)cc(Br)c1.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-ethylethanamine?
The InChIKey is APAICDHNAOZOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br3FN/c1-2-21-16(11-5-12(17)9-13(18)6-11)8-10-7-14(20)3-4-15(10)19/h3-7,9,16,21H,2,8H2,1H3.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-ethylethanamine?
2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-ethylethanamine has a molecular weight of 480.01 g/mol, XLogP of 6.01, 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-(3,5-dibromophenyl)-N-ethylethanamine is sourced from PubChem (CID 107974490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).