2-[4-methoxy-3-(2-propylsulfonylethoxy)phenyl]ethanamine

C14H23NO4S — CID 106728330

IUPAC2-[4-methoxy-3-(2-propylsulfonylethoxy)phenyl]ethanamine
SMILESCCCS(=O)(=O)CCOc1cc(CCN)ccc1OC
InChIInChI=1S/C14H23NO4S/c1-3-9-20(16,17)10-8-19-14-11-12(6-7-15)4-5-13(14)18-2/h4-5,11H,3,6-10,15H2,1-2H3
InChIKeyNDZWEEKNNAYSEZ-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.40
Rot. Bonds9

About 2-[4-methoxy-3-(2-propylsulfonylethoxy)phenyl]ethanamine

2-[4-methoxy-3-(2-propylsulfonylethoxy)phenyl]ethanamine (PubChem CID 106728330) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-[4-methoxy-3-(2-propylsulfonylethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-methoxy-3-(2-propylsulfonylethoxy)phenyl]ethanamine
PubChem CID106728330
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC Name2-[4-methoxy-3-(2-propylsulfonylethoxy)phenyl]ethanamine
SMILESCCCS(=O)(=O)CCOc1cc(CCN)ccc1OC
InChIInChI=1S/C14H23NO4S/c1-3-9-20(16,17)10-8-19-14-11-12(6-7-15)4-5-13(14)18-2/h4-5,11H,3,6-10,15H2,1-2H3
InChIKeyNDZWEEKNNAYSEZ-UHFFFAOYSA-N
XLogP1.40
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxy-3-pentoxyphenyl)ethanamine
CID 11096640
2-(4-methoxy-3-octoxyphenyl)ethanamine
CID 60905213
2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine;propane
CID 145237576
3-(2-ethylsulfonylethoxy)-4-methoxyaniline
CID 43807344
2-[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]ethanamine
CID 54958248
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
2-(4-butoxy-3-ethoxyphenyl)ethanamine
CID 20982697
2-[5-(2-aminoethyl)-2-methoxyphenoxy]acetonitrile
CID 60904745
1-[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]-N-methylmethanamine
CID 43807425
4-[5-(2-aminoethyl)-2-methoxyphenoxy]-2,2-dimethylbutanenitrile
CID 65252741
4-(bromomethyl)-1-methoxy-2-(2-methylsulfonylethoxy)benzene
CID 54914887
2-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine
CID 103013023

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-(2-propylsulfonylethoxy)phenyl]ethanamine?
The IUPAC name of 2-[4-methoxy-3-(2-propylsulfonylethoxy)phenyl]ethanamine (CID 106728330) is 2-[4-methoxy-3-(2-propylsulfonylethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[4-methoxy-3-(2-propylsulfonylethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[4-methoxy-3-(2-propylsulfonylethoxy)phenyl]ethanamine is CCCS(=O)(=O)CCOc1cc(CCN)ccc1OC.
What is the InChIKey of 2-[4-methoxy-3-(2-propylsulfonylethoxy)phenyl]ethanamine?
The InChIKey is NDZWEEKNNAYSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-3-9-20(16,17)10-8-19-14-11-12(6-7-15)4-5-13(14)18-2/h4-5,11H,3,6-10,15H2,1-2H3.
What are the key properties of 2-[4-methoxy-3-(2-propylsulfonylethoxy)phenyl]ethanamine?
2-[4-methoxy-3-(2-propylsulfonylethoxy)phenyl]ethanamine has a molecular weight of 301.41 g/mol, XLogP of 1.40, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-3-(2-propylsulfonylethoxy)phenyl]ethanamine is sourced from PubChem (CID 106728330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).