1-[2-(3-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine

C15H17NOS — CID 3080289

IUPAC1-[2-(3-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine
SMILESCNCc1ccccc1Sc1cccc(OC)c1
InChIInChI=1S/C15H17NOS/c1-16-11-12-6-3-4-9-15(12)18-14-8-5-7-13(10-14)17-2/h3-10,16H,11H2,1-2H3
InChIKeyOIWKOIAIXYFZHR-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.57
Rot. Bonds5

About 1-[2-(3-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine

1-[2-(3-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine (PubChem CID 3080289) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine
PubChem CID3080289
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name1-[2-(3-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine
SMILESCNCc1ccccc1Sc1cccc(OC)c1
InChIInChI=1S/C15H17NOS/c1-16-11-12-6-3-4-9-15(12)18-14-8-5-7-13(10-14)17-2/h3-10,16H,11H2,1-2H3
InChIKeyOIWKOIAIXYFZHR-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 3080282
CID 3080282
CID 881386
CID 881386
CID 11805628
CID 11805628
CID 3080287
CID 3080287
CID 3080290
CID 3080290
CID 1615655
CID 1615655
CID 11771014
CID 11771014
CID 738580
CID 738580
CID 49339
CID 49339
CID 3075822
CID 3075822
CID 3075824
CID 3075824
CID 3075830
CID 3075830

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine (CID 3080289) is 1-[2-(3-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine is CNCc1ccccc1Sc1cccc(OC)c1.
What is the InChIKey of 1-[2-(3-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine?
The InChIKey is OIWKOIAIXYFZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-16-11-12-6-3-4-9-15(12)18-14-8-5-7-13(10-14)17-2/h3-10,16H,11H2,1-2H3.
What are the key properties of 1-[2-(3-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine?
1-[2-(3-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine has a molecular weight of 259.37 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine is sourced from PubChem (CID 3080289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).