2-(2-bromo-3-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine

C14H11Br3FN — CID 107946486

IUPAC2-(2-bromo-3-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine
SMILESNC(Cc1cccc(F)c1Br)c1ccc(Br)cc1Br
InChIInChI=1S/C14H11Br3FN/c15-9-4-5-10(11(16)7-9)13(19)6-8-2-1-3-12(18)14(8)17/h1-5,7,13H,6,19H2
InChIKeyNGQBQIHVULWWGV-UHFFFAOYSA-N
MW451.96 g/mol
LogP5.36
Rot. Bonds3

About 2-(2-bromo-3-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine

2-(2-bromo-3-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine (PubChem CID 107946486) has the molecular formula C14H11Br3FN and a molecular weight of 451.96 g/mol. Its IUPAC name is 2-(2-bromo-3-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-3-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine
PubChem CID107946486
Molecular FormulaC14H11Br3FN
Molecular Weight451.96 g/mol
Exact Mass448.84
IUPAC Name2-(2-bromo-3-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine
SMILESNC(Cc1cccc(F)c1Br)c1ccc(Br)cc1Br
InChIInChI=1S/C14H11Br3FN/c15-9-4-5-10(11(16)7-9)13(19)6-8-2-1-3-12(18)14(8)17/h1-5,7,13H,6,19H2
InChIKeyNGQBQIHVULWWGV-UHFFFAOYSA-N
XLogP5.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.96
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromo-3-fluorophenyl)-1-(4-bromo-2-methylphenyl)ethanamine
CID 105020445
2-(2-bromo-3-fluorophenyl)-1-(2,4-dichlorophenyl)ethanamine
CID 105020396
2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine
CID 107947077
1-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)ethanamine
CID 61078893
2-(2-bromo-3-fluorophenyl)-1-(4-bromo-3-fluorophenyl)ethanamine
CID 105020699
2-(2-bromo-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
CID 105172090
2-(2-bromo-3-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105020643
1-(3-bromo-2-fluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanamine
CID 107952664
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-4-fluorophenyl)ethanamine
CID 105037980
2-(2-bromo-3-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 105172091
2-(2-bromo-3-fluorophenyl)-1-quinolin-8-ylethanamine
CID 105172118
2,4-dibromo-1-[1-bromo-2-(2,6-difluorophenyl)ethyl]benzene
CID 107958068

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine?
The IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine (CID 107946486) is 2-(2-bromo-3-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine.
What is the SMILES notation for 2-(2-bromo-3-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine?
The canonical SMILES for 2-(2-bromo-3-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine is NC(Cc1cccc(F)c1Br)c1ccc(Br)cc1Br.
What is the InChIKey of 2-(2-bromo-3-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine?
The InChIKey is NGQBQIHVULWWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br3FN/c15-9-4-5-10(11(16)7-9)13(19)6-8-2-1-3-12(18)14(8)17/h1-5,7,13H,6,19H2.
What are the key properties of 2-(2-bromo-3-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine?
2-(2-bromo-3-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine has a molecular weight of 451.96 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine is sourced from PubChem (CID 107946486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).