1-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)ethanamine

C15H15F2NO2 — CID 16783272

IUPAC1-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)ethanamine
SMILESCOc1ccccc1OCC(N)c1ccc(F)cc1F
InChIInChI=1S/C15H15F2NO2/c1-19-14-4-2-3-5-15(14)20-9-13(18)11-7-6-10(16)8-12(11)17/h2-8,13H,9,18H2,1H3
InChIKeyVDTGRFLUQMNQAO-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.05
Rot. Bonds5

About 1-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)ethanamine

1-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)ethanamine (PubChem CID 16783272) has the molecular formula C15H15F2NO2 and a molecular weight of 279.29 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)ethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)ethanamine
PubChem CID16783272
Molecular FormulaC15H15F2NO2
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name1-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)ethanamine
SMILESCOc1ccccc1OCC(N)c1ccc(F)cc1F
InChIInChI=1S/C15H15F2NO2/c1-19-14-4-2-3-5-15(14)20-9-13(18)11-7-6-10(16)8-12(11)17/h2-8,13H,9,18H2,1H3
InChIKeyVDTGRFLUQMNQAO-UHFFFAOYSA-N
XLogP3.05
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-difluorophenoxy)-1-(2,4-difluorophenyl)ethanamine
CID 107523625
1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanamine
CID 107524051
2-(2,3-difluorophenoxy)-1-(2-methoxyphenyl)ethanamine
CID 63038149
1-(2-methoxy-5-methylphenyl)-2-(2-methoxyphenoxy)ethanamine
CID 16785142
1-(2,5-difluorophenyl)-2-(2-methylphenoxy)ethanamine
CID 16789582
(2,4-difluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 62867795
(2,4-difluorophenyl)-(2-ethoxyphenyl)methanamine
CID 43197762
1-(2,5-difluorophenyl)-2-(2-fluoro-3-methylphenoxy)ethanamine
CID 107657092
2-(2-methoxyphenoxy)-1-(4-methylphenyl)ethanamine
CID 16783711
(2R)-2-amino-2-(4-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 171224919
(1S)-1-(4-fluoro-2-methoxyphenyl)propan-1-amine
CID 55253804
1-(2,4-difluorophenyl)-2-(2-fluorophenoxy)ethanol
CID 109412665

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)ethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)ethanamine (CID 16783272) is 1-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)ethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)ethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)ethanamine is COc1ccccc1OCC(N)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)ethanamine?
The InChIKey is VDTGRFLUQMNQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO2/c1-19-14-4-2-3-5-15(14)20-9-13(18)11-7-6-10(16)8-12(11)17/h2-8,13H,9,18H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)ethanamine?
1-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)ethanamine has a molecular weight of 279.29 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)ethanamine is sourced from PubChem (CID 16783272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).