1-(2-methoxyphenyl)-N-methyl-2-(oxolan-2-ylmethylsulfanyl)ethanamine

C15H23NO2S — CID 106496981

IUPAC1-(2-methoxyphenyl)-N-methyl-2-(oxolan-2-ylmethylsulfanyl)ethanamine
SMILESCNC(CSCC1CCCO1)c1ccccc1OC
InChIInChI=1S/C15H23NO2S/c1-16-14(11-19-10-12-6-5-9-18-12)13-7-3-4-8-15(13)17-2/h3-4,7-8,12,14,16H,5-6,9-11H2,1-2H3
InChIKeyGLGVDHCIIHDRQW-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.87
Rot. Bonds7

About 1-(2-methoxyphenyl)-N-methyl-2-(oxolan-2-ylmethylsulfanyl)ethanamine

1-(2-methoxyphenyl)-N-methyl-2-(oxolan-2-ylmethylsulfanyl)ethanamine (PubChem CID 106496981) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-methyl-2-(oxolan-2-ylmethylsulfanyl)ethanamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-methyl-2-(oxolan-2-ylmethylsulfanyl)ethanamine
PubChem CID106496981
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name1-(2-methoxyphenyl)-N-methyl-2-(oxolan-2-ylmethylsulfanyl)ethanamine
SMILESCNC(CSCC1CCCO1)c1ccccc1OC
InChIInChI=1S/C15H23NO2S/c1-16-14(11-19-10-12-6-5-9-18-12)13-7-3-4-8-15(13)17-2/h3-4,7-8,12,14,16H,5-6,9-11H2,1-2H3
InChIKeyGLGVDHCIIHDRQW-UHFFFAOYSA-N
XLogP2.87
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-methoxyphenyl)-2-(oxan-2-yl)ethyl]hydrazine
CID 105267281
N-methyl-2-(oxolan-2-ylmethylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 106496962
N-ethyl-1-(2-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166709
1-[2-(difluoromethoxy)phenyl]-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 104993696
1-(2-methoxyphenyl)-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine
CID 64627721
N-methyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 62800663
1-(2-bromo-4,5-dimethoxyphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65156118
[2-(oxolan-2-yl)-1-(2-propoxyphenyl)ethyl]hydrazine
CID 105198546
1-(3,4-dimethylphenyl)-N-ethyl-2-(oxolan-2-ylmethylsulfanyl)ethanamine
CID 106496920
1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 62797333
N-ethyl-2-(oxolan-2-yl)-1-(2-propoxyphenyl)ethanamine
CID 104659878
1-(4-bromo-2,5-dimethoxyphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 105056695

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-methyl-2-(oxolan-2-ylmethylsulfanyl)ethanamine?
The IUPAC name of 1-(2-methoxyphenyl)-N-methyl-2-(oxolan-2-ylmethylsulfanyl)ethanamine (CID 106496981) is 1-(2-methoxyphenyl)-N-methyl-2-(oxolan-2-ylmethylsulfanyl)ethanamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-methyl-2-(oxolan-2-ylmethylsulfanyl)ethanamine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-methyl-2-(oxolan-2-ylmethylsulfanyl)ethanamine is CNC(CSCC1CCCO1)c1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-N-methyl-2-(oxolan-2-ylmethylsulfanyl)ethanamine?
The InChIKey is GLGVDHCIIHDRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-16-14(11-19-10-12-6-5-9-18-12)13-7-3-4-8-15(13)17-2/h3-4,7-8,12,14,16H,5-6,9-11H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-N-methyl-2-(oxolan-2-ylmethylsulfanyl)ethanamine?
1-(2-methoxyphenyl)-N-methyl-2-(oxolan-2-ylmethylsulfanyl)ethanamine has a molecular weight of 281.42 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-methyl-2-(oxolan-2-ylmethylsulfanyl)ethanamine is sourced from PubChem (CID 106496981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).