2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanamine

C14H12Br2FN — CID 55095103

IUPAC2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanamine
SMILESNC(Cc1ccc(F)cc1Br)c1cccc(Br)c1
InChIInChI=1S/C14H12Br2FN/c15-11-3-1-2-10(6-11)14(18)7-9-4-5-12(17)8-13(9)16/h1-6,8,14H,7,18H2
InChIKeyAESNVQMOEWZJSX-UHFFFAOYSA-N
MW373.06 g/mol
LogP4.59
Rot. Bonds3

About 2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanamine

2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanamine (PubChem CID 55095103) has the molecular formula C14H12Br2FN and a molecular weight of 373.06 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanamine
PubChem CID55095103
Molecular FormulaC14H12Br2FN
Molecular Weight373.06 g/mol
Exact Mass370.93
IUPAC Name2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanamine
SMILESNC(Cc1ccc(F)cc1Br)c1cccc(Br)c1
InChIInChI=1S/C14H12Br2FN/c15-11-3-1-2-10(6-11)14(18)7-9-4-5-12(17)8-13(9)16/h1-6,8,14H,7,18H2
InChIKeyAESNVQMOEWZJSX-UHFFFAOYSA-N
XLogP4.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.06
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromo-4-fluorophenyl)-1-(3-bromo-5-fluorophenyl)ethanamine
CID 66425067
1,2-bis(2-bromo-4-fluorophenyl)ethanamine
CID 115843294
2-(4-fluoro-2-methylphenyl)-1-(3-fluorophenyl)ethanamine
CID 114347619
2-(2-bromo-4-fluorophenyl)-1-thiophen-2-ylethanamine
CID 62608112
2-(2-bromo-4-fluorophenyl)-1-(furan-2-yl)ethanamine
CID 62716295
2-(2-bromo-4-fluorophenyl)-1-(2,3-dimethylphenyl)ethanamine
CID 115843287
(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(3-bromophenyl)ethanamine
CID 81381880
2-(2-bromo-4-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 115843147
2-(4-bromo-2-fluorophenyl)-1-(3-methylphenyl)ethanamine
CID 62602021
2-bromo-1-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-4-fluorobenzene
CID 66041927
1-(3-bromophenyl)-2-(2,3-dichlorophenyl)ethanamine
CID 107308364
1-[2-(3-bromophenyl)-3-chloropropyl]-2,4-difluorobenzene
CID 79432007

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanamine?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanamine (CID 55095103) is 2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanamine.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanamine?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanamine is NC(Cc1ccc(F)cc1Br)c1cccc(Br)c1.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanamine?
The InChIKey is AESNVQMOEWZJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2FN/c15-11-3-1-2-10(6-11)14(18)7-9-4-5-12(17)8-13(9)16/h1-6,8,14H,7,18H2.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanamine?
2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanamine has a molecular weight of 373.06 g/mol, XLogP of 4.59, 3 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-bromophenyl)ethanamine is sourced from PubChem (CID 55095103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).