2-(2,3-difluorophenoxy)-1-(2,4-difluorophenyl)ethanamine

C14H11F4NO — CID 107523625

IUPAC2-(2,3-difluorophenoxy)-1-(2,4-difluorophenyl)ethanamine
SMILESNC(COc1cccc(F)c1F)c1ccc(F)cc1F
InChIInChI=1S/C14H11F4NO/c15-8-4-5-9(11(17)6-8)12(19)7-20-13-3-1-2-10(16)14(13)18/h1-6,12H,7,19H2
InChIKeyVTTZMRMEQCUHFA-UHFFFAOYSA-N
MW285.24 g/mol
LogP3.32
Rot. Bonds4

About 2-(2,3-difluorophenoxy)-1-(2,4-difluorophenyl)ethanamine

2-(2,3-difluorophenoxy)-1-(2,4-difluorophenyl)ethanamine (PubChem CID 107523625) has the molecular formula C14H11F4NO and a molecular weight of 285.24 g/mol. Its IUPAC name is 2-(2,3-difluorophenoxy)-1-(2,4-difluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(2,3-difluorophenoxy)-1-(2,4-difluorophenyl)ethanamine
PubChem CID107523625
Molecular FormulaC14H11F4NO
Molecular Weight285.24 g/mol
Exact Mass285.08
IUPAC Name2-(2,3-difluorophenoxy)-1-(2,4-difluorophenyl)ethanamine
SMILESNC(COc1cccc(F)c1F)c1ccc(F)cc1F
InChIInChI=1S/C14H11F4NO/c15-8-4-5-9(11(17)6-8)12(19)7-20-13-3-1-2-10(16)14(13)18/h1-6,12H,7,19H2
InChIKeyVTTZMRMEQCUHFA-UHFFFAOYSA-N
XLogP3.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)ethanamine
CID 16783272
2-(2,3-difluorophenoxy)-1-(2-methoxyphenyl)ethanamine
CID 63038149
1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanamine
CID 107524051
1-(2,5-difluorophenyl)-2-(2-fluoro-3-methylphenoxy)ethanamine
CID 107657092
(2R)-1-(2,3-difluorophenoxy)propan-2-amine
CID 79006344
2-(2,3-difluorophenoxy)-1-(4-ethylphenyl)ethanamine
CID 63036402
2-(2,3-difluorophenoxy)-1-(3-methoxyphenyl)ethanamine
CID 63036932
2-(2-fluorophenoxy)-1-(3-fluorophenyl)ethanamine
CID 18070424
1-(2,3-difluorophenoxy)-3,3-dimethylbutan-2-amine
CID 63037624
3-(2,3-difluorophenoxy)propane-1,2-diol
CID 79838719
1-(2,4-difluorophenyl)-2-(2-fluorophenoxy)ethanol
CID 109412665
1-cyclopropyl-2-(2,3-difluorophenoxy)ethanamine
CID 63905866

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenoxy)-1-(2,4-difluorophenyl)ethanamine?
The IUPAC name of 2-(2,3-difluorophenoxy)-1-(2,4-difluorophenyl)ethanamine (CID 107523625) is 2-(2,3-difluorophenoxy)-1-(2,4-difluorophenyl)ethanamine.
What is the SMILES notation for 2-(2,3-difluorophenoxy)-1-(2,4-difluorophenyl)ethanamine?
The canonical SMILES for 2-(2,3-difluorophenoxy)-1-(2,4-difluorophenyl)ethanamine is NC(COc1cccc(F)c1F)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,3-difluorophenoxy)-1-(2,4-difluorophenyl)ethanamine?
The InChIKey is VTTZMRMEQCUHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NO/c15-8-4-5-9(11(17)6-8)12(19)7-20-13-3-1-2-10(16)14(13)18/h1-6,12H,7,19H2.
What are the key properties of 2-(2,3-difluorophenoxy)-1-(2,4-difluorophenyl)ethanamine?
2-(2,3-difluorophenoxy)-1-(2,4-difluorophenyl)ethanamine has a molecular weight of 285.24 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenoxy)-1-(2,4-difluorophenyl)ethanamine is sourced from PubChem (CID 107523625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).