1-(2-methoxy-4-methylphenyl)-N-(2-methylsulfinylethyl)ethanamine

C13H21NO2S — CID 113261692

IUPAC1-(2-methoxy-4-methylphenyl)-N-(2-methylsulfinylethyl)ethanamine
SMILESCOc1cc(C)ccc1C(C)NCCS(C)=O
InChIInChI=1S/C13H21NO2S/c1-10-5-6-12(13(9-10)16-3)11(2)14-7-8-17(4)15/h5-6,9,11,14H,7-8H2,1-4H3
InChIKeyRECDXEPJNGHBAV-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.03
Rot. Bonds6

About 1-(2-methoxy-4-methylphenyl)-N-(2-methylsulfinylethyl)ethanamine

1-(2-methoxy-4-methylphenyl)-N-(2-methylsulfinylethyl)ethanamine (PubChem CID 113261692) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 1-(2-methoxy-4-methylphenyl)-N-(2-methylsulfinylethyl)ethanamine.

Molecular Properties

Compound Name1-(2-methoxy-4-methylphenyl)-N-(2-methylsulfinylethyl)ethanamine
PubChem CID113261692
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name1-(2-methoxy-4-methylphenyl)-N-(2-methylsulfinylethyl)ethanamine
SMILESCOc1cc(C)ccc1C(C)NCCS(C)=O
InChIInChI=1S/C13H21NO2S/c1-10-5-6-12(13(9-10)16-3)11(2)14-7-8-17(4)15/h5-6,9,11,14H,7-8H2,1-4H3
InChIKeyRECDXEPJNGHBAV-UHFFFAOYSA-N
XLogP2.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)-N-(2-methylsulfinylethyl)ethanamine
CID 115720774
N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylsulfinylbutan-2-amine
CID 115893267
N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylsulfinylpropan-1-amine
CID 115896280
1-(2-methoxy-4-methylphenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 80681238
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904386
1-(4-fluoro-3-methoxyphenyl)-N-(2-methylsulfinylethyl)ethanamine
CID 115879329
tert-butyl N-[3-[1-(2-methoxy-4-methylphenyl)ethylamino]propyl]carbamate
CID 103781132
[4-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]phenyl]methanol
CID 107230187
3-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]pentan-3-ol
CID 65105446
tert-butyl 2-[1-(2-methoxy-4-methylphenyl)ethylamino]acetate
CID 81463582
N-[(2-methoxy-5-methylphenyl)methyl]-2-methylsulfinylethanamine
CID 115632611
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methoxy-4-methylphenyl)ethanamine
CID 82733612

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-methylphenyl)-N-(2-methylsulfinylethyl)ethanamine?
The IUPAC name of 1-(2-methoxy-4-methylphenyl)-N-(2-methylsulfinylethyl)ethanamine (CID 113261692) is 1-(2-methoxy-4-methylphenyl)-N-(2-methylsulfinylethyl)ethanamine.
What is the SMILES notation for 1-(2-methoxy-4-methylphenyl)-N-(2-methylsulfinylethyl)ethanamine?
The canonical SMILES for 1-(2-methoxy-4-methylphenyl)-N-(2-methylsulfinylethyl)ethanamine is COc1cc(C)ccc1C(C)NCCS(C)=O.
What is the InChIKey of 1-(2-methoxy-4-methylphenyl)-N-(2-methylsulfinylethyl)ethanamine?
The InChIKey is RECDXEPJNGHBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-10-5-6-12(13(9-10)16-3)11(2)14-7-8-17(4)15/h5-6,9,11,14H,7-8H2,1-4H3.
What are the key properties of 1-(2-methoxy-4-methylphenyl)-N-(2-methylsulfinylethyl)ethanamine?
1-(2-methoxy-4-methylphenyl)-N-(2-methylsulfinylethyl)ethanamine has a molecular weight of 255.38 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-methylphenyl)-N-(2-methylsulfinylethyl)ethanamine is sourced from PubChem (CID 113261692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).