[2-(2-methylsulfonylethoxy)-4-propoxyphenyl]methanamine

C13H21NO4S — CID 60915924

IUPAC[2-(2-methylsulfonylethoxy)-4-propoxyphenyl]methanamine
SMILESCCCOc1ccc(CN)c(OCCS(C)(=O)=O)c1
InChIInChI=1S/C13H21NO4S/c1-3-6-17-12-5-4-11(10-14)13(9-12)18-7-8-19(2,15)16/h4-5,9H,3,6-8,10,14H2,1-2H3
InChIKeyCVTZNZBNVBNAMP-UHFFFAOYSA-N
MW287.38 g/mol
LogP1.36
Rot. Bonds8

About [2-(2-methylsulfonylethoxy)-4-propoxyphenyl]methanamine

[2-(2-methylsulfonylethoxy)-4-propoxyphenyl]methanamine (PubChem CID 60915924) has the molecular formula C13H21NO4S and a molecular weight of 287.38 g/mol. Its IUPAC name is [2-(2-methylsulfonylethoxy)-4-propoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-(2-methylsulfonylethoxy)-4-propoxyphenyl]methanamine
PubChem CID60915924
Molecular FormulaC13H21NO4S
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC Name[2-(2-methylsulfonylethoxy)-4-propoxyphenyl]methanamine
SMILESCCCOc1ccc(CN)c(OCCS(C)(=O)=O)c1
InChIInChI=1S/C13H21NO4S/c1-3-6-17-12-5-4-11(10-14)13(9-12)18-7-8-19(2,15)16/h4-5,9H,3,6-8,10,14H2,1-2H3
InChIKeyCVTZNZBNVBNAMP-UHFFFAOYSA-N
XLogP1.36
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(chloromethyl)-2-(2-methylsulfonylethoxy)-4-propoxybenzene
CID 61057924
(2-butoxy-4-propoxyphenyl)methanamine
CID 43472095
(2-octoxy-4-propoxyphenyl)methanamine
CID 43472093
[2,4-di(docosoxy)phenyl]methanamine
CID 66652643
6-[2-(aminomethyl)-5-propoxyphenoxy]hexan-1-ol
CID 107702428
[2-(2-ethylbutoxy)-4-propoxyphenyl]methanamine
CID 82925951
[4-propoxy-2-(2-propylsulfonylethoxy)phenyl]methanol
CID 106726141
1-(bromomethyl)-4-propoxy-2-(2-propylsulfonylethoxy)benzene
CID 106726532
(2-but-2-ynoxy-4-propoxyphenyl)methanamine
CID 55057837
(2-butan-2-yloxy-4-propoxyphenyl)methanamine
CID 43472107
[2-(cyclobutylmethoxy)-4-propoxyphenyl]methanamine
CID 65457537
[2-[(E)-3-chloro-2-methylprop-2-enoxy]-4-propoxyphenyl]methanamine
CID 106436827

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylsulfonylethoxy)-4-propoxyphenyl]methanamine?
The IUPAC name of [2-(2-methylsulfonylethoxy)-4-propoxyphenyl]methanamine (CID 60915924) is [2-(2-methylsulfonylethoxy)-4-propoxyphenyl]methanamine.
What is the SMILES notation for [2-(2-methylsulfonylethoxy)-4-propoxyphenyl]methanamine?
The canonical SMILES for [2-(2-methylsulfonylethoxy)-4-propoxyphenyl]methanamine is CCCOc1ccc(CN)c(OCCS(C)(=O)=O)c1.
What is the InChIKey of [2-(2-methylsulfonylethoxy)-4-propoxyphenyl]methanamine?
The InChIKey is CVTZNZBNVBNAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4S/c1-3-6-17-12-5-4-11(10-14)13(9-12)18-7-8-19(2,15)16/h4-5,9H,3,6-8,10,14H2,1-2H3.
What are the key properties of [2-(2-methylsulfonylethoxy)-4-propoxyphenyl]methanamine?
[2-(2-methylsulfonylethoxy)-4-propoxyphenyl]methanamine has a molecular weight of 287.38 g/mol, XLogP of 1.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylsulfonylethoxy)-4-propoxyphenyl]methanamine is sourced from PubChem (CID 60915924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).