N-(2-ethylsulfonylethyl)-2-(4-fluorophenyl)ethanamine

C12H18FNO2S — CID 43807567

IUPACN-(2-ethylsulfonylethyl)-2-(4-fluorophenyl)ethanamine
SMILESCCS(=O)(=O)CCNCCc1ccc(F)cc1
InChIInChI=1S/C12H18FNO2S/c1-2-17(15,16)10-9-14-8-7-11-3-5-12(13)6-4-11/h3-6,14H,2,7-10H2,1H3
InChIKeyIKIICJUWIHDHPY-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.39
Rot. Bonds7

About N-(2-ethylsulfonylethyl)-2-(4-fluorophenyl)ethanamine

N-(2-ethylsulfonylethyl)-2-(4-fluorophenyl)ethanamine (PubChem CID 43807567) has the molecular formula C12H18FNO2S and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-2-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-2-(4-fluorophenyl)ethanamine
PubChem CID43807567
Molecular FormulaC12H18FNO2S
Molecular Weight259.35 g/mol
Exact Mass259.10
IUPAC NameN-(2-ethylsulfonylethyl)-2-(4-fluorophenyl)ethanamine
SMILESCCS(=O)(=O)CCNCCc1ccc(F)cc1
InChIInChI=1S/C12H18FNO2S/c1-2-17(15,16)10-9-14-8-7-11-3-5-12(13)6-4-11/h3-6,14H,2,7-10H2,1H3
InChIKeyIKIICJUWIHDHPY-UHFFFAOYSA-N
XLogP1.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.39
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

2-(3,5-difluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 62616300
N-[(4-fluorophenyl)methyl]-2-propylsulfonylethanamine
CID 106723077
N-[2-(4-fluorophenyl)ethyl]heptan-1-amine
CID 43129180
3-ethylsulfonyl-N-(2-phenylethyl)propan-1-amine
CID 65094242
3-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]propane-1-sulfonamide
CID 106049134
N-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 60687515
[2-(4-fluorophenyl)ethylamino]methanol
CID 69360802
N-[2-(4-fluorophenyl)ethyl]-4,4-dimethylpentan-1-amine
CID 114209362
1-[2-(4-fluorophenyl)ethylamino]butan-2-ol
CID 60886872
4-[2-(4-fluorophenyl)ethylamino]-2-methylbutanoic acid
CID 115220862
N,N-diethyl-2-[2-(4-fluorophenyl)ethylamino]acetamide
CID 28570858
N-[2-(4-fluorophenyl)ethyl]-4-methylsulfanylbutan-1-amine
CID 103953532

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-2-(4-fluorophenyl)ethanamine?
The IUPAC name of N-(2-ethylsulfonylethyl)-2-(4-fluorophenyl)ethanamine (CID 43807567) is N-(2-ethylsulfonylethyl)-2-(4-fluorophenyl)ethanamine.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-2-(4-fluorophenyl)ethanamine?
The canonical SMILES for N-(2-ethylsulfonylethyl)-2-(4-fluorophenyl)ethanamine is CCS(=O)(=O)CCNCCc1ccc(F)cc1.
What is the InChIKey of N-(2-ethylsulfonylethyl)-2-(4-fluorophenyl)ethanamine?
The InChIKey is IKIICJUWIHDHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2S/c1-2-17(15,16)10-9-14-8-7-11-3-5-12(13)6-4-11/h3-6,14H,2,7-10H2,1H3.
What are the key properties of N-(2-ethylsulfonylethyl)-2-(4-fluorophenyl)ethanamine?
N-(2-ethylsulfonylethyl)-2-(4-fluorophenyl)ethanamine has a molecular weight of 259.35 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-2-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 43807567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).