2-(2-methoxyphenoxy)-N-(2-methylsulfonylethyl)ethanamine

C12H19NO4S — CID 55024329

IUPAC2-(2-methoxyphenoxy)-N-(2-methylsulfonylethyl)ethanamine
SMILESCOc1ccccc1OCCNCCS(C)(=O)=O
InChIInChI=1S/C12H19NO4S/c1-16-11-5-3-4-6-12(11)17-9-7-13-8-10-18(2,14)15/h3-6,13H,7-10H2,1-2H3
InChIKeyDGEOERRJECQQEH-UHFFFAOYSA-N
MW273.35 g/mol
LogP0.71
Rot. Bonds8

About 2-(2-methoxyphenoxy)-N-(2-methylsulfonylethyl)ethanamine

2-(2-methoxyphenoxy)-N-(2-methylsulfonylethyl)ethanamine (PubChem CID 55024329) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-(2-methylsulfonylethyl)ethanamine.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-(2-methylsulfonylethyl)ethanamine
PubChem CID55024329
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC Name2-(2-methoxyphenoxy)-N-(2-methylsulfonylethyl)ethanamine
SMILESCOc1ccccc1OCCNCCS(C)(=O)=O
InChIInChI=1S/C12H19NO4S/c1-16-11-5-3-4-6-12(11)17-9-7-13-8-10-18(2,14)15/h3-6,13H,7-10H2,1-2H3
InChIKeyDGEOERRJECQQEH-UHFFFAOYSA-N
XLogP0.71
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyphenoxy)ethyl]hexadecan-1-amine
CID 54796021
5-[2-(2-methoxyphenoxy)ethylamino]pentan-2-ol
CID 114147540
2-(2,6-difluorophenoxy)-N-(2-methylsulfonylethyl)ethanamine
CID 81270109
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropan-1-amine;hydrochloride
CID 117067322
2-(2-methoxyphenoxy)-N-methylethanamine;hydrochloride
CID 19749083
2-(2-methoxyphenoxy)-N-[2-[(6-methoxy-2-pyridinyl)oxy]ethyl]ethanamine
CID 70605196
2-(4-bromo-2-methylphenoxy)-N-(2-methylsulfonylethyl)ethanamine
CID 55162497
2-(4-chloro-2-methylphenoxy)-N-(2-methylsulfonylethyl)ethanamine
CID 62572163
3-(2-methoxyphenoxy)propane-1-sulfonyl fluoride
CID 165453369
1-[2-(2-methoxyphenoxy)ethylamino]-2-methylpropan-2-ol
CID 63239759
2-but-3-enoxy-N-[2-(2-methoxyphenoxy)ethyl]ethanamine
CID 106401757
N-[2-(2-methoxyphenoxy)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 27823905

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-(2-methylsulfonylethyl)ethanamine?
The IUPAC name of 2-(2-methoxyphenoxy)-N-(2-methylsulfonylethyl)ethanamine (CID 55024329) is 2-(2-methoxyphenoxy)-N-(2-methylsulfonylethyl)ethanamine.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-(2-methylsulfonylethyl)ethanamine?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-(2-methylsulfonylethyl)ethanamine is COc1ccccc1OCCNCCS(C)(=O)=O.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-(2-methylsulfonylethyl)ethanamine?
The InChIKey is DGEOERRJECQQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S/c1-16-11-5-3-4-6-12(11)17-9-7-13-8-10-18(2,14)15/h3-6,13H,7-10H2,1-2H3.
What are the key properties of 2-(2-methoxyphenoxy)-N-(2-methylsulfonylethyl)ethanamine?
2-(2-methoxyphenoxy)-N-(2-methylsulfonylethyl)ethanamine has a molecular weight of 273.35 g/mol, XLogP of 0.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-(2-methylsulfonylethyl)ethanamine is sourced from PubChem (CID 55024329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).