2-[4-(4-bromo-2-fluorophenoxy)-3-methylphenyl]ethanamine

C15H15BrFNO — CID 55238939

IUPAC2-[4-(4-bromo-2-fluorophenoxy)-3-methylphenyl]ethanamine
SMILESCc1cc(CCN)ccc1Oc1ccc(Br)cc1F
InChIInChI=1S/C15H15BrFNO/c1-10-8-11(6-7-18)2-4-14(10)19-15-5-3-12(16)9-13(15)17/h2-5,8-9H,6-7,18H2,1H3
InChIKeyWICOLWMPQVSIIH-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.19
Rot. Bonds4

About 2-[4-(4-bromo-2-fluorophenoxy)-3-methylphenyl]ethanamine

2-[4-(4-bromo-2-fluorophenoxy)-3-methylphenyl]ethanamine (PubChem CID 55238939) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 2-[4-(4-bromo-2-fluorophenoxy)-3-methylphenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-bromo-2-fluorophenoxy)-3-methylphenyl]ethanamine
PubChem CID55238939
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name2-[4-(4-bromo-2-fluorophenoxy)-3-methylphenyl]ethanamine
SMILESCc1cc(CCN)ccc1Oc1ccc(Br)cc1F
InChIInChI=1S/C15H15BrFNO/c1-10-8-11(6-7-18)2-4-14(10)19-15-5-3-12(16)9-13(15)17/h2-5,8-9H,6-7,18H2,1H3
InChIKeyWICOLWMPQVSIIH-UHFFFAOYSA-N
XLogP4.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-bromo-2-fluorophenoxy)-3-fluorophenyl]ethanamine
CID 55238749
2-[4-(5-bromo-2,3-difluorophenoxy)-3-methylphenyl]ethanamine
CID 107102003
2-[4-(3-bromo-5-fluorophenoxy)-3-methylphenyl]ethanamine
CID 81326331
2-[4-(2-bromo-4-methylphenoxy)-3-methylphenyl]ethanamine
CID 63802463
2-[4-(5-bromo-2,3-difluorophenoxy)-3-fluorophenyl]ethanamine
CID 107102021
1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-methylbenzene
CID 107089318
2-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanamine
CID 107171074
2-[2-(4-bromo-2-fluorophenoxy)-5-chlorophenyl]ethanamine
CID 114862686
[4-(2,4-dimethylphenoxy)-3-fluorophenyl]methanamine
CID 28966023
2-[4-(5-bromo-2-methylphenoxy)-3,5-difluorophenyl]ethanamine
CID 107286734
1-[4-(5-bromo-2-fluorophenoxy)-3-methylphenyl]butan-2-amine
CID 114677110
[4-bromo-2-(4-bromo-2-fluorophenoxy)phenyl]methanamine
CID 43365001

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromo-2-fluorophenoxy)-3-methylphenyl]ethanamine?
The IUPAC name of 2-[4-(4-bromo-2-fluorophenoxy)-3-methylphenyl]ethanamine (CID 55238939) is 2-[4-(4-bromo-2-fluorophenoxy)-3-methylphenyl]ethanamine.
What is the SMILES notation for 2-[4-(4-bromo-2-fluorophenoxy)-3-methylphenyl]ethanamine?
The canonical SMILES for 2-[4-(4-bromo-2-fluorophenoxy)-3-methylphenyl]ethanamine is Cc1cc(CCN)ccc1Oc1ccc(Br)cc1F.
What is the InChIKey of 2-[4-(4-bromo-2-fluorophenoxy)-3-methylphenyl]ethanamine?
The InChIKey is WICOLWMPQVSIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-10-8-11(6-7-18)2-4-14(10)19-15-5-3-12(16)9-13(15)17/h2-5,8-9H,6-7,18H2,1H3.
What are the key properties of 2-[4-(4-bromo-2-fluorophenoxy)-3-methylphenyl]ethanamine?
2-[4-(4-bromo-2-fluorophenoxy)-3-methylphenyl]ethanamine has a molecular weight of 324.19 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromo-2-fluorophenoxy)-3-methylphenyl]ethanamine is sourced from PubChem (CID 55238939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).