1-[5-methoxy-2-(4-methylsulfanylphenoxy)phenyl]-N,N-dimethylmethanamine

C17H21NO2S — CID 23378663

IUPAC1-[5-methoxy-2-(4-methylsulfanylphenoxy)phenyl]-N,N-dimethylmethanamine
SMILESCOc1ccc(Oc2ccc(SC)cc2)c(CN(C)C)c1
InChIInChI=1S/C17H21NO2S/c1-18(2)12-13-11-15(19-3)7-10-17(13)20-14-5-8-16(21-4)9-6-14/h5-11H,12H2,1-4H3
InChIKeyWOCZQLIXSZXEQA-UHFFFAOYSA-N
MW303.43 g/mol
LogP4.27
Rot. Bonds6

About 1-[5-methoxy-2-(4-methylsulfanylphenoxy)phenyl]-N,N-dimethylmethanamine

1-[5-methoxy-2-(4-methylsulfanylphenoxy)phenyl]-N,N-dimethylmethanamine (PubChem CID 23378663) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 1-[5-methoxy-2-(4-methylsulfanylphenoxy)phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-methoxy-2-(4-methylsulfanylphenoxy)phenyl]-N,N-dimethylmethanamine
PubChem CID23378663
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name1-[5-methoxy-2-(4-methylsulfanylphenoxy)phenyl]-N,N-dimethylmethanamine
SMILESCOc1ccc(Oc2ccc(SC)cc2)c(CN(C)C)c1
InChIInChI=1S/C17H21NO2S/c1-18(2)12-13-11-15(19-3)7-10-17(13)20-14-5-8-16(21-4)9-6-14/h5-11H,12H2,1-4H3
InChIKeyWOCZQLIXSZXEQA-UHFFFAOYSA-N
XLogP4.27
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methoxy-2-(4-methylsulfanylphenoxy)phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-methoxy-2-(4-methylsulfanylphenoxy)phenyl]-N,N-dimethylmethanamine (CID 23378663) is 1-[5-methoxy-2-(4-methylsulfanylphenoxy)phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-methoxy-2-(4-methylsulfanylphenoxy)phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-methoxy-2-(4-methylsulfanylphenoxy)phenyl]-N,N-dimethylmethanamine is COc1ccc(Oc2ccc(SC)cc2)c(CN(C)C)c1.
What is the InChIKey of 1-[5-methoxy-2-(4-methylsulfanylphenoxy)phenyl]-N,N-dimethylmethanamine?
The InChIKey is WOCZQLIXSZXEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-18(2)12-13-11-15(19-3)7-10-17(13)20-14-5-8-16(21-4)9-6-14/h5-11H,12H2,1-4H3.
What are the key properties of 1-[5-methoxy-2-(4-methylsulfanylphenoxy)phenyl]-N,N-dimethylmethanamine?
1-[5-methoxy-2-(4-methylsulfanylphenoxy)phenyl]-N,N-dimethylmethanamine has a molecular weight of 303.43 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methoxy-2-(4-methylsulfanylphenoxy)phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 23378663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).