1-(2,4-dimethoxyphenyl)-N-ethyl-2-methylsulfonylethanamine

C13H21NO4S — CID 55112186

IUPAC1-(2,4-dimethoxyphenyl)-N-ethyl-2-methylsulfonylethanamine
SMILESCCNC(CS(C)(=O)=O)c1ccc(OC)cc1OC
InChIInChI=1S/C13H21NO4S/c1-5-14-12(9-19(4,15)16)11-7-6-10(17-2)8-13(11)18-3/h6-8,12,14H,5,9H2,1-4H3
InChIKeyIPCCMZSZXDJVDO-UHFFFAOYSA-N
MW287.38 g/mol
LogP1.40
Rot. Bonds7

About 1-(2,4-dimethoxyphenyl)-N-ethyl-2-methylsulfonylethanamine

1-(2,4-dimethoxyphenyl)-N-ethyl-2-methylsulfonylethanamine (PubChem CID 55112186) has the molecular formula C13H21NO4S and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N-ethyl-2-methylsulfonylethanamine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N-ethyl-2-methylsulfonylethanamine
PubChem CID55112186
Molecular FormulaC13H21NO4S
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC Name1-(2,4-dimethoxyphenyl)-N-ethyl-2-methylsulfonylethanamine
SMILESCCNC(CS(C)(=O)=O)c1ccc(OC)cc1OC
InChIInChI=1S/C13H21NO4S/c1-5-14-12(9-19(4,15)16)11-7-6-10(17-2)8-13(11)18-3/h6-8,12,14H,5,9H2,1-4H3
InChIKeyIPCCMZSZXDJVDO-UHFFFAOYSA-N
XLogP1.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,4-dimethoxyphenyl)-2-ethylsulfonylethyl]propan-1-amine
CID 64644798
N-[1-(2,5-dimethoxyphenyl)-2-methylsulfonylethyl]propan-1-amine
CID 62785327
N-[1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfonylpropan-2-amine
CID 64629515
1-(2,4-dimethoxyphenyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 115346589
1-(2,4-dimethoxyphenyl)-N-ethyl-2-propylsulfanylethanamine
CID 64615524
1-(2,4-dimethoxyphenyl)-N-ethyl-2-pentylsulfanylethanamine
CID 107763149
1-(2,4-dimethoxyphenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine
CID 102928489
1-(2,4-dimethoxyphenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine
CID 103546709
2-butan-2-ylsulfonyl-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 64646885
(1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine
CID 93079729
1-(2,4-dimethoxyphenyl)-2-ethoxy-N-ethylbutan-1-amine
CID 116717031
N-ethyl-1-[2-(2-methoxyethoxy)phenyl]-2-methylsulfonylethanamine
CID 105035305

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-N-ethyl-2-methylsulfonylethanamine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N-ethyl-2-methylsulfonylethanamine (CID 55112186) is 1-(2,4-dimethoxyphenyl)-N-ethyl-2-methylsulfonylethanamine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N-ethyl-2-methylsulfonylethanamine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N-ethyl-2-methylsulfonylethanamine is CCNC(CS(C)(=O)=O)c1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N-ethyl-2-methylsulfonylethanamine?
The InChIKey is IPCCMZSZXDJVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4S/c1-5-14-12(9-19(4,15)16)11-7-6-10(17-2)8-13(11)18-3/h6-8,12,14H,5,9H2,1-4H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-N-ethyl-2-methylsulfonylethanamine?
1-(2,4-dimethoxyphenyl)-N-ethyl-2-methylsulfonylethanamine has a molecular weight of 287.38 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-N-ethyl-2-methylsulfonylethanamine is sourced from PubChem (CID 55112186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).