2-(3-fluorophenoxy)-N-(2-methylsulfonylethyl)ethanamine

C11H16FNO3S — CID 62571065

IUPAC2-(3-fluorophenoxy)-N-(2-methylsulfonylethyl)ethanamine
SMILESCS(=O)(=O)CCNCCOc1cccc(F)c1
InChIInChI=1S/C11H16FNO3S/c1-17(14,15)8-6-13-5-7-16-11-4-2-3-10(12)9-11/h2-4,9,13H,5-8H2,1H3
InChIKeyWPOVWEPKPOMCFR-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.84
Rot. Bonds7

About 2-(3-fluorophenoxy)-N-(2-methylsulfonylethyl)ethanamine

2-(3-fluorophenoxy)-N-(2-methylsulfonylethyl)ethanamine (PubChem CID 62571065) has the molecular formula C11H16FNO3S and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-(2-methylsulfonylethyl)ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-(2-methylsulfonylethyl)ethanamine
PubChem CID62571065
Molecular FormulaC11H16FNO3S
Molecular Weight261.32 g/mol
Exact Mass261.08
IUPAC Name2-(3-fluorophenoxy)-N-(2-methylsulfonylethyl)ethanamine
SMILESCS(=O)(=O)CCNCCOc1cccc(F)c1
InChIInChI=1S/C11H16FNO3S/c1-17(14,15)8-6-13-5-7-16-11-4-2-3-10(12)9-11/h2-4,9,13H,5-8H2,1H3
InChIKeyWPOVWEPKPOMCFR-UHFFFAOYSA-N
XLogP0.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.84
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,N-diethyl-3-[2-(2-methylsulfonylethylamino)ethoxy]aniline
CID 62583401
2-(2,6-difluorophenoxy)-N-(2-methylsulfonylethyl)ethanamine
CID 81270109
1-fluoro-3-[2-(3-methylsulfonylphenoxy)ethoxy]benzene
CID 52619425
N-[2-(3-fluorophenoxy)ethyl]-2-thiophen-3-ylethanamine
CID 55093367
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylsulfonylethyl)ethanamine
CID 62584689
methyl N-[2-(3-fluorophenoxy)ethyl]carbamate
CID 110477679
5-(3-fluorophenoxy)-N-propylpentan-1-amine
CID 62459048
2-(3-fluorophenoxy)-N-[(3-methylphenyl)methyl]ethanamine
CID 39360189
methyl 3-(3-fluorophenoxy)propanoate
CID 28889468
N-[(4-tert-butylphenyl)methyl]-2-(3-fluorophenoxy)ethanamine
CID 39425418
2-(2-methoxyphenoxy)-N-(2-methylsulfonylethyl)ethanamine
CID 55024329
1-(2-ethyl-2-hydroxybutyl)-3-[2-(3-fluorophenoxy)ethyl]urea
CID 110910257

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-(2-methylsulfonylethyl)ethanamine?
The IUPAC name of 2-(3-fluorophenoxy)-N-(2-methylsulfonylethyl)ethanamine (CID 62571065) is 2-(3-fluorophenoxy)-N-(2-methylsulfonylethyl)ethanamine.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-(2-methylsulfonylethyl)ethanamine?
The canonical SMILES for 2-(3-fluorophenoxy)-N-(2-methylsulfonylethyl)ethanamine is CS(=O)(=O)CCNCCOc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-(2-methylsulfonylethyl)ethanamine?
The InChIKey is WPOVWEPKPOMCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO3S/c1-17(14,15)8-6-13-5-7-16-11-4-2-3-10(12)9-11/h2-4,9,13H,5-8H2,1H3.
What are the key properties of 2-(3-fluorophenoxy)-N-(2-methylsulfonylethyl)ethanamine?
2-(3-fluorophenoxy)-N-(2-methylsulfonylethyl)ethanamine has a molecular weight of 261.32 g/mol, XLogP of 0.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-(2-methylsulfonylethyl)ethanamine is sourced from PubChem (CID 62571065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).