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

C15H14BrF2NO — CID 115957934

IUPAC2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
SMILESNCCc1cccc(F)c1OCc1ccc(F)c(Br)c1
InChIInChI=1S/C15H14BrF2NO/c16-12-8-10(4-5-13(12)17)9-20-15-11(6-7-19)2-1-3-14(15)18/h1-5,8H,6-7,9,19H2
InChIKeyFKRCRTNNBRVPMV-UHFFFAOYSA-N
MW342.18 g/mol
LogP3.81
Rot. Bonds5

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

2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine (PubChem CID 115957934) has the molecular formula C15H14BrF2NO and a molecular weight of 342.18 g/mol. Its IUPAC name is 2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
PubChem CID115957934
Molecular FormulaC15H14BrF2NO
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Name2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
SMILESNCCc1cccc(F)c1OCc1ccc(F)c(Br)c1
InChIInChI=1S/C15H14BrF2NO/c16-12-8-10(4-5-13(12)17)9-20-15-11(6-7-19)2-1-3-14(15)18/h1-5,8H,6-7,9,19H2
InChIKeyFKRCRTNNBRVPMV-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-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 115957662
2-[4-[(3-bromo-4-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine
CID 79882250
2-[3-fluoro-2-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 112615255
[4-[(3-bromo-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine
CID 79886486
2-[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 107739433
2-[4-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 107692866
2-[3-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanamine
CID 112615158
2-[2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine
CID 114321473
2-[2-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 115984055
1-[(3-bromo-4-fluorophenyl)methoxy]-2,3-difluorobenzene
CID 63457062
2-[3-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 114857497
1-chloro-4-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-2-fluorobenzene
CID 107882644

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine?
The IUPAC name of 2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine (CID 115957934) is 2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine?
The canonical SMILES for 2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine is NCCc1cccc(F)c1OCc1ccc(F)c(Br)c1.
What is the InChIKey of 2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine?
The InChIKey is FKRCRTNNBRVPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO/c16-12-8-10(4-5-13(12)17)9-20-15-11(6-7-19)2-1-3-14(15)18/h1-5,8H,6-7,9,19H2.
What are the key properties of 2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine?
2-[2-[(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-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine is sourced from PubChem (CID 115957934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).