[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methanamine

C14H13BrFNO — CID 28981709

IUPAC[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methanamine
SMILESNCc1cc(Br)ccc1OCc1ccccc1F
InChIInChI=1S/C14H13BrFNO/c15-12-5-6-14(11(7-12)8-17)18-9-10-3-1-2-4-13(10)16/h1-7H,8-9,17H2
InChIKeyJRMHQKCQOBDDOU-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.63
Rot. Bonds4

About [5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methanamine

[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methanamine (PubChem CID 28981709) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is [5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methanamine
PubChem CID28981709
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methanamine
SMILESNCc1cc(Br)ccc1OCc1ccccc1F
InChIInChI=1S/C14H13BrFNO/c15-12-5-6-14(11(7-12)8-17)18-9-10-3-1-2-4-13(10)16/h1-7H,8-9,17H2
InChIKeyJRMHQKCQOBDDOU-UHFFFAOYSA-N
XLogP3.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methanamine?
The IUPAC name of [5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methanamine (CID 28981709) is [5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methanamine.
What is the SMILES notation for [5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methanamine?
The canonical SMILES for [5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methanamine is NCc1cc(Br)ccc1OCc1ccccc1F.
What is the InChIKey of [5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methanamine?
The InChIKey is JRMHQKCQOBDDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c15-12-5-6-14(11(7-12)8-17)18-9-10-3-1-2-4-13(10)16/h1-7H,8-9,17H2.
What are the key properties of [5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methanamine?
[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methanamine has a molecular weight of 310.17 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methanamine is sourced from PubChem (CID 28981709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).