2-(3,5-difluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine

C12H17F2NO2S — CID 62616300

IUPAC2-(3,5-difluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine
SMILESCCS(=O)(=O)CCNCCc1cc(F)cc(F)c1
InChIInChI=1S/C12H17F2NO2S/c1-2-18(16,17)6-5-15-4-3-10-7-11(13)9-12(14)8-10/h7-9,15H,2-6H2,1H3
InChIKeyRZIPSAMIDBYGFJ-UHFFFAOYSA-N
MW277.34 g/mol
LogP1.53
Rot. Bonds7

About 2-(3,5-difluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine

2-(3,5-difluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine (PubChem CID 62616300) has the molecular formula C12H17F2NO2S and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine
PubChem CID62616300
Molecular FormulaC12H17F2NO2S
Molecular Weight277.34 g/mol
Exact Mass277.09
IUPAC Name2-(3,5-difluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine
SMILESCCS(=O)(=O)CCNCCc1cc(F)cc(F)c1
InChIInChI=1S/C12H17F2NO2S/c1-2-18(16,17)6-5-15-4-3-10-7-11(13)9-12(14)8-10/h7-9,15H,2-6H2,1H3
InChIKeyRZIPSAMIDBYGFJ-UHFFFAOYSA-N
XLogP1.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylsulfonylethyl)-2-(4-fluorophenyl)ethanamine
CID 43807567
N-[2-(3,5-difluorophenyl)ethyl]ethanesulfonamide
CID 62304575
2-[2-(3,5-difluorophenyl)ethylamino]ethanol
CID 62603879
N-[2-(3,5-difluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 64554825
3-(3,5-difluorophenyl)-N-propylpropan-1-amine
CID 64504664
2-[2-(3,5-difluorophenyl)ethylamino]acetonitrile
CID 62615420
N-[2-(3,5-difluorophenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 114525148
3-[2-(3,5-difluorophenyl)ethylamino]propanamide
CID 62605689
methyl 4-[2-(3,5-difluorophenyl)ethylamino]butanoate
CID 62615955
N-(3,5-difluorophenyl)-2-(propylamino)ethanesulfonamide
CID 114132499
5-[2-(3,5-difluorophenyl)ethylamino]pentan-1-ol
CID 62603706
2-[2-(3,5-difluorophenyl)ethylamino]-N-methyl-N-propan-2-ylacetamide
CID 62616475

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine?
The IUPAC name of 2-(3,5-difluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine (CID 62616300) is 2-(3,5-difluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine is CCS(=O)(=O)CCNCCc1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine?
The InChIKey is RZIPSAMIDBYGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2S/c1-2-18(16,17)6-5-15-4-3-10-7-11(13)9-12(14)8-10/h7-9,15H,2-6H2,1H3.
What are the key properties of 2-(3,5-difluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine?
2-(3,5-difluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine has a molecular weight of 277.34 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine is sourced from PubChem (CID 62616300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).