2-[4-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine

C15H14BrF2NO — CID 107692866

IUPAC2-[4-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
SMILESNCCc1ccc(OCc2ccc(F)c(Br)c2)c(F)c1
InChIInChI=1S/C15H14BrF2NO/c16-12-7-11(1-3-13(12)17)9-20-15-4-2-10(5-6-19)8-14(15)18/h1-4,7-8H,5-6,9,19H2
InChIKeyZYGVUMQMCBTUOJ-UHFFFAOYSA-N
MW342.18 g/mol
LogP3.81
Rot. Bonds5

About 2-[4-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine

2-[4-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine (PubChem CID 107692866) has the molecular formula C15H14BrF2NO and a molecular weight of 342.18 g/mol. Its IUPAC name is 2-[4-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
PubChem CID107692866
Molecular FormulaC15H14BrF2NO
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Name2-[4-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
SMILESNCCc1ccc(OCc2ccc(F)c(Br)c2)c(F)c1
InChIInChI=1S/C15H14BrF2NO/c16-12-7-11(1-3-13(12)17)9-20-15-4-2-10(5-6-19)8-14(15)18/h1-4,7-8H,5-6,9,19H2
InChIKeyZYGVUMQMCBTUOJ-UHFFFAOYSA-N
XLogP3.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(3-bromo-4-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine
CID 79882250
2-[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 107885526
4-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorobenzonitrile
CID 107667707
[2-[(3-bromo-4-fluorophenyl)methoxy]-5-fluorophenyl]methanamine
CID 107695003
2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzene
CID 55219072
2-[4-[(5-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 107692530
2-[2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine
CID 114321473
2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-(chloromethyl)benzene
CID 63534718
[4-[(3-bromo-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine
CID 79886486
5-amino-2-[(3-bromo-4-fluorophenyl)methoxy]benzoic acid
CID 43379961
2-bromo-4-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1-fluorobenzene
CID 63534999
2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 115957934

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine?
The IUPAC name of 2-[4-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine (CID 107692866) is 2-[4-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[4-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine?
The canonical SMILES for 2-[4-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine is NCCc1ccc(OCc2ccc(F)c(Br)c2)c(F)c1.
What is the InChIKey of 2-[4-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine?
The InChIKey is ZYGVUMQMCBTUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO/c16-12-7-11(1-3-13(12)17)9-20-15-4-2-10(5-6-19)8-14(15)18/h1-4,7-8H,5-6,9,19H2.
What are the key properties of 2-[4-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine?
2-[4-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine has a molecular weight of 342.18 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine is sourced from PubChem (CID 107692866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).