2-(2-bromo-4-methoxyphenoxy)-2-(2-fluorophenyl)ethanamine

C15H15BrFNO2 — CID 104706806

IUPAC2-(2-bromo-4-methoxyphenoxy)-2-(2-fluorophenyl)ethanamine
SMILESCOc1ccc(OC(CN)c2ccccc2F)c(Br)c1
InChIInChI=1S/C15H15BrFNO2/c1-19-10-6-7-14(12(16)8-10)20-15(9-18)11-4-2-3-5-13(11)17/h2-8,15H,9,18H2,1H3
InChIKeyQXSYMPGLSBIFKV-UHFFFAOYSA-N
MW340.19 g/mol
LogP3.68
Rot. Bonds5

About 2-(2-bromo-4-methoxyphenoxy)-2-(2-fluorophenyl)ethanamine

2-(2-bromo-4-methoxyphenoxy)-2-(2-fluorophenyl)ethanamine (PubChem CID 104706806) has the molecular formula C15H15BrFNO2 and a molecular weight of 340.19 g/mol. Its IUPAC name is 2-(2-bromo-4-methoxyphenoxy)-2-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-4-methoxyphenoxy)-2-(2-fluorophenyl)ethanamine
PubChem CID104706806
Molecular FormulaC15H15BrFNO2
Molecular Weight340.19 g/mol
Exact Mass339.03
IUPAC Name2-(2-bromo-4-methoxyphenoxy)-2-(2-fluorophenyl)ethanamine
SMILESCOc1ccc(OC(CN)c2ccccc2F)c(Br)c1
InChIInChI=1S/C15H15BrFNO2/c1-19-10-6-7-14(12(16)8-10)20-15(9-18)11-4-2-3-5-13(11)17/h2-8,15H,9,18H2,1H3
InChIKeyQXSYMPGLSBIFKV-UHFFFAOYSA-N
XLogP3.68
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.19
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenoxy)-2-(2-fluorophenyl)ethanamine
CID 55019037
2-(4-bromo-2-fluorophenoxy)-2-(2-fluorophenyl)ethanamine
CID 55019182
2-(5-bromo-2,3-difluorophenoxy)-2-(2-fluorophenyl)ethanamine
CID 107097595
2-(2-bromo-4-methoxyphenoxy)-2-pyridin-4-ylethanamine
CID 104706773
2-(2-bromophenyl)-2-(2-fluorophenoxy)ethanamine
CID 55022598
2-(2,4-dibromophenoxy)-2-(2-methylphenyl)ethanamine
CID 64721518
2-(2-bromo-4-methoxyphenoxy)-2-(3-methylthiophen-2-yl)ethanamine
CID 104706707
2-(3-ethoxyphenoxy)-2-(2-fluorophenyl)ethanamine
CID 62337852
1-(2,5-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65377522
2-(2-fluorophenyl)-2-(3-methoxyphenyl)ethanamine
CID 82023293
2-[2-amino-1-(2-fluorophenyl)ethoxy]benzonitrile
CID 55018646
2-(4-chlorophenoxy)-2-(2-methoxyphenyl)ethanamine
CID 55022034

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-2-(2-fluorophenyl)ethanamine?
The IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-2-(2-fluorophenyl)ethanamine (CID 104706806) is 2-(2-bromo-4-methoxyphenoxy)-2-(2-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(2-bromo-4-methoxyphenoxy)-2-(2-fluorophenyl)ethanamine?
The canonical SMILES for 2-(2-bromo-4-methoxyphenoxy)-2-(2-fluorophenyl)ethanamine is COc1ccc(OC(CN)c2ccccc2F)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methoxyphenoxy)-2-(2-fluorophenyl)ethanamine?
The InChIKey is QXSYMPGLSBIFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO2/c1-19-10-6-7-14(12(16)8-10)20-15(9-18)11-4-2-3-5-13(11)17/h2-8,15H,9,18H2,1H3.
What are the key properties of 2-(2-bromo-4-methoxyphenoxy)-2-(2-fluorophenyl)ethanamine?
2-(2-bromo-4-methoxyphenoxy)-2-(2-fluorophenyl)ethanamine has a molecular weight of 340.19 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methoxyphenoxy)-2-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 104706806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).