2-(2,6-difluorophenoxy)-N-(2-methylsulfonylethyl)ethanamine

C11H15F2NO3S — CID 81270109

IUPAC2-(2,6-difluorophenoxy)-N-(2-methylsulfonylethyl)ethanamine
SMILESCS(=O)(=O)CCNCCOc1c(F)cccc1F
InChIInChI=1S/C11H15F2NO3S/c1-18(15,16)8-6-14-5-7-17-11-9(12)3-2-4-10(11)13/h2-4,14H,5-8H2,1H3
InChIKeyFVNHBZATHKCIGH-UHFFFAOYSA-N
MW279.31 g/mol
LogP0.98
Rot. Bonds7

About 2-(2,6-difluorophenoxy)-N-(2-methylsulfonylethyl)ethanamine

2-(2,6-difluorophenoxy)-N-(2-methylsulfonylethyl)ethanamine (PubChem CID 81270109) has the molecular formula C11H15F2NO3S and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-(2,6-difluorophenoxy)-N-(2-methylsulfonylethyl)ethanamine.

Molecular Properties

Compound Name2-(2,6-difluorophenoxy)-N-(2-methylsulfonylethyl)ethanamine
PubChem CID81270109
Molecular FormulaC11H15F2NO3S
Molecular Weight279.31 g/mol
Exact Mass279.07
IUPAC Name2-(2,6-difluorophenoxy)-N-(2-methylsulfonylethyl)ethanamine
SMILESCS(=O)(=O)CCNCCOc1c(F)cccc1F
InChIInChI=1S/C11H15F2NO3S/c1-18(15,16)8-6-14-5-7-17-11-9(12)3-2-4-10(11)13/h2-4,14H,5-8H2,1H3
InChIKeyFVNHBZATHKCIGH-UHFFFAOYSA-N
XLogP0.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,6-difluorophenoxy)ethyl]-2-methoxyethanamine
CID 81269641
2-(3-fluorophenoxy)-N-(2-methylsulfonylethyl)ethanamine
CID 62571065
N-[[3-fluoro-2-(2-methylsulfonylethoxy)phenyl]methyl]-2-methoxyethanamine
CID 115955370
N-[[3-fluoro-2-(3-methylsulfonylpropoxy)phenyl]methyl]propan-1-amine
CID 115953412
2-(2-methoxyphenoxy)-N-(2-methylsulfonylethyl)ethanamine
CID 55024329
3-(2,6-difluorophenoxy)-N-methylpropan-1-amine
CID 81269290
N,N-diethyl-3-[2-(2-methylsulfonylethylamino)ethoxy]aniline
CID 62583401
2-(4-chloro-2-methylphenoxy)-N-(2-methylsulfonylethyl)ethanamine
CID 62572163
(E)-3-[3-fluoro-2-(2-methylsulfonylethoxy)phenyl]prop-2-enoic acid
CID 112614308
2-(4-bromo-2-methylphenoxy)-N-(2-methylsulfonylethyl)ethanamine
CID 55162497
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylsulfonylethyl)ethanamine
CID 62584689
N-[2-(2,6-difluorophenoxy)ethyl]cyclopropanamine
CID 81268990

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenoxy)-N-(2-methylsulfonylethyl)ethanamine?
The IUPAC name of 2-(2,6-difluorophenoxy)-N-(2-methylsulfonylethyl)ethanamine (CID 81270109) is 2-(2,6-difluorophenoxy)-N-(2-methylsulfonylethyl)ethanamine.
What is the SMILES notation for 2-(2,6-difluorophenoxy)-N-(2-methylsulfonylethyl)ethanamine?
The canonical SMILES for 2-(2,6-difluorophenoxy)-N-(2-methylsulfonylethyl)ethanamine is CS(=O)(=O)CCNCCOc1c(F)cccc1F.
What is the InChIKey of 2-(2,6-difluorophenoxy)-N-(2-methylsulfonylethyl)ethanamine?
The InChIKey is FVNHBZATHKCIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO3S/c1-18(15,16)8-6-14-5-7-17-11-9(12)3-2-4-10(11)13/h2-4,14H,5-8H2,1H3.
What are the key properties of 2-(2,6-difluorophenoxy)-N-(2-methylsulfonylethyl)ethanamine?
2-(2,6-difluorophenoxy)-N-(2-methylsulfonylethyl)ethanamine has a molecular weight of 279.31 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenoxy)-N-(2-methylsulfonylethyl)ethanamine is sourced from PubChem (CID 81270109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).