1-(2-methoxyphenyl)-N-methyl-2-(2-methylbutylsulfinyl)ethanamine

C15H25NO2S — CID 107760021

IUPAC1-(2-methoxyphenyl)-N-methyl-2-(2-methylbutylsulfinyl)ethanamine
SMILESCCC(C)CS(=O)CC(NC)c1ccccc1OC
InChIInChI=1S/C15H25NO2S/c1-5-12(2)10-19(17)11-14(16-3)13-8-6-7-9-15(13)18-4/h6-9,12,14,16H,5,10-11H2,1-4H3
InChIKeyULVOVVSSYCSENQ-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.75
Rot. Bonds8

About 1-(2-methoxyphenyl)-N-methyl-2-(2-methylbutylsulfinyl)ethanamine

1-(2-methoxyphenyl)-N-methyl-2-(2-methylbutylsulfinyl)ethanamine (PubChem CID 107760021) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-methyl-2-(2-methylbutylsulfinyl)ethanamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-methyl-2-(2-methylbutylsulfinyl)ethanamine
PubChem CID107760021
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name1-(2-methoxyphenyl)-N-methyl-2-(2-methylbutylsulfinyl)ethanamine
SMILESCCC(C)CS(=O)CC(NC)c1ccccc1OC
InChIInChI=1S/C15H25NO2S/c1-5-12(2)10-19(17)11-14(16-3)13-8-6-7-9-15(13)18-4/h6-9,12,14,16H,5,10-11H2,1-4H3
InChIKeyULVOVVSSYCSENQ-UHFFFAOYSA-N
XLogP2.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxyphenyl)-N-methyl-2-propylsulfinylethanamine
CID 64652372
1-(2-methoxyphenyl)-N-methyl-2-thiophen-2-ylsulfinylethanamine
CID 64651150
1-(2,4-dimethoxyphenyl)-N-methyl-2-(2-methylpropylsulfinyl)ethanamine
CID 64651646
N-[1-(2-methoxyphenyl)-2-(3-methylbutylsulfinyl)ethyl]propan-1-amine
CID 107760698
(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404
1-(2-methoxyphenyl)-N-methylhexan-1-amine
CID 62608289
1-(2-ethoxyphenyl)-4-methoxy-N,3-dimethylbutan-1-amine
CID 105145062
N-ethyl-1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine
CID 107759551
4-(2-methoxyphenyl)-4-(methylamino)butanoic acid
CID 112517908
1-(2-methoxyphenyl)-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine
CID 64627721
1-(2-methoxyphenyl)-N-methyl-2-(2-propoxyethoxy)ethanamine
CID 63686193
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-methyl-2-(2-methylbutylsulfinyl)ethanamine?
The IUPAC name of 1-(2-methoxyphenyl)-N-methyl-2-(2-methylbutylsulfinyl)ethanamine (CID 107760021) is 1-(2-methoxyphenyl)-N-methyl-2-(2-methylbutylsulfinyl)ethanamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-methyl-2-(2-methylbutylsulfinyl)ethanamine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-methyl-2-(2-methylbutylsulfinyl)ethanamine is CCC(C)CS(=O)CC(NC)c1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-N-methyl-2-(2-methylbutylsulfinyl)ethanamine?
The InChIKey is ULVOVVSSYCSENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-5-12(2)10-19(17)11-14(16-3)13-8-6-7-9-15(13)18-4/h6-9,12,14,16H,5,10-11H2,1-4H3.
What are the key properties of 1-(2-methoxyphenyl)-N-methyl-2-(2-methylbutylsulfinyl)ethanamine?
1-(2-methoxyphenyl)-N-methyl-2-(2-methylbutylsulfinyl)ethanamine has a molecular weight of 283.44 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-methyl-2-(2-methylbutylsulfinyl)ethanamine is sourced from PubChem (CID 107760021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).