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

C15H15BrFNO — CID 54930363

IUPAC2-[3-[(2-bromo-4-fluorophenyl)methoxy]phenyl]ethanamine
SMILESNCCc1cccc(OCc2ccc(F)cc2Br)c1
InChIInChI=1S/C15H15BrFNO/c16-15-9-13(17)5-4-12(15)10-19-14-3-1-2-11(8-14)6-7-18/h1-5,8-9H,6-7,10,18H2
InChIKeyDIOAOFZOXODJNC-UHFFFAOYSA-N
MW324.19 g/mol
LogP3.67
Rot. Bonds5

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

2-[3-[(2-bromo-4-fluorophenyl)methoxy]phenyl]ethanamine (PubChem CID 54930363) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 2-[3-[(2-bromo-4-fluorophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-[(2-bromo-4-fluorophenyl)methoxy]phenyl]ethanamine
PubChem CID54930363
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name2-[3-[(2-bromo-4-fluorophenyl)methoxy]phenyl]ethanamine
SMILESNCCc1cccc(OCc2ccc(F)cc2Br)c1
InChIInChI=1S/C15H15BrFNO/c16-15-9-13(17)5-4-12(15)10-19-14-3-1-2-11(8-14)6-7-18/h1-5,8-9H,6-7,10,18H2
InChIKeyDIOAOFZOXODJNC-UHFFFAOYSA-N
XLogP3.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-bromo-4-fluorophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[3-[(2-bromo-4-fluorophenyl)methoxy]phenyl]ethanamine (CID 54930363) is 2-[3-[(2-bromo-4-fluorophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3-[(2-bromo-4-fluorophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[3-[(2-bromo-4-fluorophenyl)methoxy]phenyl]ethanamine is NCCc1cccc(OCc2ccc(F)cc2Br)c1.
What is the InChIKey of 2-[3-[(2-bromo-4-fluorophenyl)methoxy]phenyl]ethanamine?
The InChIKey is DIOAOFZOXODJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c16-15-9-13(17)5-4-12(15)10-19-14-3-1-2-11(8-14)6-7-18/h1-5,8-9H,6-7,10,18H2.
What are the key properties of 2-[3-[(2-bromo-4-fluorophenyl)methoxy]phenyl]ethanamine?
2-[3-[(2-bromo-4-fluorophenyl)methoxy]phenyl]ethanamine has a molecular weight of 324.19 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-bromo-4-fluorophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 54930363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).