[2-(2-bromo-4-fluorophenoxy)phenyl]methanamine

C13H11BrFNO — CID 28965983

IUPAC[2-(2-bromo-4-fluorophenoxy)phenyl]methanamine
SMILESNCc1ccccc1Oc1ccc(F)cc1Br
InChIInChI=1S/C13H11BrFNO/c14-11-7-10(15)5-6-13(11)17-12-4-2-1-3-9(12)8-16/h1-7H,8,16H2
InChIKeyPASREANDJNHQOZ-UHFFFAOYSA-N
MW296.14 g/mol
LogP3.84
Rot. Bonds3

About [2-(2-bromo-4-fluorophenoxy)phenyl]methanamine

[2-(2-bromo-4-fluorophenoxy)phenyl]methanamine (PubChem CID 28965983) has the molecular formula C13H11BrFNO and a molecular weight of 296.14 g/mol. Its IUPAC name is [2-(2-bromo-4-fluorophenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-(2-bromo-4-fluorophenoxy)phenyl]methanamine
PubChem CID28965983
Molecular FormulaC13H11BrFNO
Molecular Weight296.14 g/mol
Exact Mass295.00
IUPAC Name[2-(2-bromo-4-fluorophenoxy)phenyl]methanamine
SMILESNCc1ccccc1Oc1ccc(F)cc1Br
InChIInChI=1S/C13H11BrFNO/c14-11-7-10(15)5-6-13(11)17-12-4-2-1-3-9(12)8-16/h1-7H,8,16H2
InChIKeyPASREANDJNHQOZ-UHFFFAOYSA-N
XLogP3.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.14
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-4-fluorophenoxy)phenyl]methanamine?
The IUPAC name of [2-(2-bromo-4-fluorophenoxy)phenyl]methanamine (CID 28965983) is [2-(2-bromo-4-fluorophenoxy)phenyl]methanamine.
What is the SMILES notation for [2-(2-bromo-4-fluorophenoxy)phenyl]methanamine?
The canonical SMILES for [2-(2-bromo-4-fluorophenoxy)phenyl]methanamine is NCc1ccccc1Oc1ccc(F)cc1Br.
What is the InChIKey of [2-(2-bromo-4-fluorophenoxy)phenyl]methanamine?
The InChIKey is PASREANDJNHQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO/c14-11-7-10(15)5-6-13(11)17-12-4-2-1-3-9(12)8-16/h1-7H,8,16H2.
What are the key properties of [2-(2-bromo-4-fluorophenoxy)phenyl]methanamine?
[2-(2-bromo-4-fluorophenoxy)phenyl]methanamine has a molecular weight of 296.14 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-4-fluorophenoxy)phenyl]methanamine is sourced from PubChem (CID 28965983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).