1-(2-methoxyphenyl)-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine

C17H21NO2S — CID 64627721

IUPAC1-(2-methoxyphenyl)-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine
SMILESCNC(CSc1ccccc1OC)c1ccccc1OC
InChIInChI=1S/C17H21NO2S/c1-18-14(13-8-4-5-9-15(13)19-2)12-21-17-11-7-6-10-16(17)20-3/h4-11,14,18H,12H2,1-3H3
InChIKeyBGFPCLICOFXCED-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.76
Rot. Bonds7

About 1-(2-methoxyphenyl)-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine

1-(2-methoxyphenyl)-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine (PubChem CID 64627721) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine
PubChem CID64627721
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name1-(2-methoxyphenyl)-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine
SMILESCNC(CSc1ccccc1OC)c1ccccc1OC
InChIInChI=1S/C17H21NO2S/c1-18-14(13-8-4-5-9-15(13)19-2)12-21-17-11-7-6-10-16(17)20-3/h4-11,14,18H,12H2,1-3H3
InChIKeyBGFPCLICOFXCED-UHFFFAOYSA-N
XLogP3.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine
CID 64627923
2-(2-chlorophenyl)sulfanyl-1-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 82792566
1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 64650228
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylsulfanylethanamine
CID 82770137
2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(2-methoxyphenyl)-N-methylethanamine
CID 64630473
[2-(2-bromophenyl)sulfanyl-1-(2-methoxyphenyl)ethyl]hydrazine
CID 105238032
1-cyclopropyl-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine
CID 64626316
3-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-1-ol
CID 66138442
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 82771709
1-(2-methoxyphenyl)-N-methylhexan-1-amine
CID 62608289
1-(2,2-diethoxyethylsulfanyl)-2-methoxybenzene
CID 10106471
1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanyl-N-methylethanamine
CID 79700594

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine?
The IUPAC name of 1-(2-methoxyphenyl)-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine (CID 64627721) is 1-(2-methoxyphenyl)-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine?
The canonical SMILES for 1-(2-methoxyphenyl)-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine is CNC(CSc1ccccc1OC)c1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine?
The InChIKey is BGFPCLICOFXCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-18-14(13-8-4-5-9-15(13)19-2)12-21-17-11-7-6-10-16(17)20-3/h4-11,14,18H,12H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine?
1-(2-methoxyphenyl)-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine has a molecular weight of 303.43 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine is sourced from PubChem (CID 64627721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).