2-ethylsulfinyl-N-[(2-fluorophenyl)methyl]ethanamine

C11H16FNOS — CID 115627127

IUPAC2-ethylsulfinyl-N-[(2-fluorophenyl)methyl]ethanamine
SMILESCCS(=O)CCNCc1ccccc1F
InChIInChI=1S/C11H16FNOS/c1-2-15(14)8-7-13-9-10-5-3-4-6-11(10)12/h3-6,13H,2,7-9H2,1H3
InChIKeyXDDAMWZOTLCGFZ-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.68
Rot. Bonds6

About 2-ethylsulfinyl-N-[(2-fluorophenyl)methyl]ethanamine

2-ethylsulfinyl-N-[(2-fluorophenyl)methyl]ethanamine (PubChem CID 115627127) has the molecular formula C11H16FNOS and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-ethylsulfinyl-N-[(2-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-ethylsulfinyl-N-[(2-fluorophenyl)methyl]ethanamine
PubChem CID115627127
Molecular FormulaC11H16FNOS
Molecular Weight229.32 g/mol
Exact Mass229.09
IUPAC Name2-ethylsulfinyl-N-[(2-fluorophenyl)methyl]ethanamine
SMILESCCS(=O)CCNCc1ccccc1F
InChIInChI=1S/C11H16FNOS/c1-2-15(14)8-7-13-9-10-5-3-4-6-11(10)12/h3-6,13H,2,7-9H2,1H3
InChIKeyXDDAMWZOTLCGFZ-UHFFFAOYSA-N
XLogP1.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethylsulfinyl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 113236210
1-(2-ethylsulfinylethyl)-2-fluorobenzene
CID 66796569
2-ethylsulfinyl-N-[(2-nitrophenyl)methyl]ethanamine
CID 115632377
N-ethyl-N'-[(2-fluorophenyl)methyl]ethane-1,2-diamine
CID 83962888
2-ethylsulfinyl-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115968137
2-ethylsulfinyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine
CID 107349466
N-[(2-bromo-4-fluorophenyl)methyl]-2-ethylsulfinylethanamine
CID 115732418
N-[(2-fluorophenyl)methyl]hexadecan-1-amine
CID 54795853
N-[(2-fluorophenyl)methyl]octan-1-amine
CID 4722837
N-[(2,3-difluorophenyl)methyl]-2-methylsulfinylethanamine
CID 115632625
N-[(2-fluorophenyl)methyl]-3-methylbut-3-en-1-amine
CID 114471961
2-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanamine;hydrochloride
CID 17294165

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfinyl-N-[(2-fluorophenyl)methyl]ethanamine?
The IUPAC name of 2-ethylsulfinyl-N-[(2-fluorophenyl)methyl]ethanamine (CID 115627127) is 2-ethylsulfinyl-N-[(2-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for 2-ethylsulfinyl-N-[(2-fluorophenyl)methyl]ethanamine?
The canonical SMILES for 2-ethylsulfinyl-N-[(2-fluorophenyl)methyl]ethanamine is CCS(=O)CCNCc1ccccc1F.
What is the InChIKey of 2-ethylsulfinyl-N-[(2-fluorophenyl)methyl]ethanamine?
The InChIKey is XDDAMWZOTLCGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNOS/c1-2-15(14)8-7-13-9-10-5-3-4-6-11(10)12/h3-6,13H,2,7-9H2,1H3.
What are the key properties of 2-ethylsulfinyl-N-[(2-fluorophenyl)methyl]ethanamine?
2-ethylsulfinyl-N-[(2-fluorophenyl)methyl]ethanamine has a molecular weight of 229.32 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfinyl-N-[(2-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 115627127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).