1-(2,6-dimethoxyphenyl)-N-ethyl-2-ethylsulfanylethanamine

C14H23NO2S — CID 116810456

IUPAC1-(2,6-dimethoxyphenyl)-N-ethyl-2-ethylsulfanylethanamine
SMILESCCNC(CSCC)c1c(OC)cccc1OC
InChIInChI=1S/C14H23NO2S/c1-5-15-11(10-18-6-2)14-12(16-3)8-7-9-13(14)17-4/h7-9,11,15H,5-6,10H2,1-4H3
InChIKeyWGIRCQQCOHOFOG-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.11
Rot. Bonds8

About 1-(2,6-dimethoxyphenyl)-N-ethyl-2-ethylsulfanylethanamine

1-(2,6-dimethoxyphenyl)-N-ethyl-2-ethylsulfanylethanamine (PubChem CID 116810456) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-N-ethyl-2-ethylsulfanylethanamine.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-N-ethyl-2-ethylsulfanylethanamine
PubChem CID116810456
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name1-(2,6-dimethoxyphenyl)-N-ethyl-2-ethylsulfanylethanamine
SMILESCCNC(CSCC)c1c(OC)cccc1OC
InChIInChI=1S/C14H23NO2S/c1-5-15-11(10-18-6-2)14-12(16-3)8-7-9-13(14)17-4/h7-9,11,15H,5-6,10H2,1-4H3
InChIKeyWGIRCQQCOHOFOG-UHFFFAOYSA-N
XLogP3.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-ethylsulfanyl-1-(2-fluoro-3-methoxyphenyl)ethanamine
CID 82807322
1-(2,6-dimethoxyphenyl)-2-ethylsulfanylethanol
CID 116810152
1-(2,6-dimethoxyphenyl)-N-ethylpentan-1-amine
CID 116810587
1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105188719
1-(2,6-dimethoxyphenyl)-N-ethyl-5-methylhexan-1-amine
CID 105028738
1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103032151
N-ethyl-2-ethylsulfanyl-1-phenylethanamine
CID 64613608
N-[1-(2,6-dimethoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine
CID 116810465
1-(2-chloro-6-methoxyphenyl)-N-ethylethane-1,2-diamine
CID 104816313
N-[(2,6-dimethoxyphenyl)-phenylmethyl]ethanamine
CID 43489150
1-(2,6-dimethoxyphenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105052132
1-(2,3-difluorophenyl)-N-ethyl-2-ethylsulfanylethanamine
CID 65128040

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-N-ethyl-2-ethylsulfanylethanamine?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-N-ethyl-2-ethylsulfanylethanamine (CID 116810456) is 1-(2,6-dimethoxyphenyl)-N-ethyl-2-ethylsulfanylethanamine.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-N-ethyl-2-ethylsulfanylethanamine?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-N-ethyl-2-ethylsulfanylethanamine is CCNC(CSCC)c1c(OC)cccc1OC.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-N-ethyl-2-ethylsulfanylethanamine?
The InChIKey is WGIRCQQCOHOFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-5-15-11(10-18-6-2)14-12(16-3)8-7-9-13(14)17-4/h7-9,11,15H,5-6,10H2,1-4H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)-N-ethyl-2-ethylsulfanylethanamine?
1-(2,6-dimethoxyphenyl)-N-ethyl-2-ethylsulfanylethanamine has a molecular weight of 269.41 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-N-ethyl-2-ethylsulfanylethanamine is sourced from PubChem (CID 116810456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).