2-(4,5-dimethoxy-2-methylsulfanylphenyl)ethanamine

C11H17NO2S — CID 54595069

IUPAC2-(4,5-dimethoxy-2-methylsulfanylphenyl)ethanamine
SMILESCOc1cc(CCN)c(SC)cc1OC
InChIInChI=1S/C11H17NO2S/c1-13-9-6-8(4-5-12)11(15-3)7-10(9)14-2/h6-7H,4-5,12H2,1-3H3
InChIKeyCBUXOWVOGMKBMB-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.93
Rot. Bonds5

About 2-(4,5-dimethoxy-2-methylsulfanylphenyl)ethanamine

2-(4,5-dimethoxy-2-methylsulfanylphenyl)ethanamine (PubChem CID 54595069) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-(4,5-dimethoxy-2-methylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4,5-dimethoxy-2-methylsulfanylphenyl)ethanamine
PubChem CID54595069
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name2-(4,5-dimethoxy-2-methylsulfanylphenyl)ethanamine
SMILESCOc1cc(CCN)c(SC)cc1OC
InChIInChI=1S/C11H17NO2S/c1-13-9-6-8(4-5-12)11(15-3)7-10(9)14-2/h6-7H,4-5,12H2,1-3H3
InChIKeyCBUXOWVOGMKBMB-UHFFFAOYSA-N
XLogP1.93
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 8421
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CID 179269
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CID 72153
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CID 1092329
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CID 144890
CID 144890
CID 20337296
CID 20337296
CID 44276763
CID 44276763
CID 44276881
CID 44276881
CID 44349932
CID 44349932
CID 44349933
CID 44349933
CID 44350009
CID 44350009

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethoxy-2-methylsulfanylphenyl)ethanamine?
The IUPAC name of 2-(4,5-dimethoxy-2-methylsulfanylphenyl)ethanamine (CID 54595069) is 2-(4,5-dimethoxy-2-methylsulfanylphenyl)ethanamine.
What is the SMILES notation for 2-(4,5-dimethoxy-2-methylsulfanylphenyl)ethanamine?
The canonical SMILES for 2-(4,5-dimethoxy-2-methylsulfanylphenyl)ethanamine is COc1cc(CCN)c(SC)cc1OC.
What is the InChIKey of 2-(4,5-dimethoxy-2-methylsulfanylphenyl)ethanamine?
The InChIKey is CBUXOWVOGMKBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-13-9-6-8(4-5-12)11(15-3)7-10(9)14-2/h6-7H,4-5,12H2,1-3H3.
What are the key properties of 2-(4,5-dimethoxy-2-methylsulfanylphenyl)ethanamine?
2-(4,5-dimethoxy-2-methylsulfanylphenyl)ethanamine has a molecular weight of 227.33 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethoxy-2-methylsulfanylphenyl)ethanamine is sourced from PubChem (CID 54595069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).