1-[2-(4-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine

C15H17NOS — CID 667612

IUPAC1-[2-(4-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine
SMILESCNCc1ccccc1Sc1ccc(OC)cc1
InChIInChI=1S/C15H17NOS/c1-16-11-12-5-3-4-6-15(12)18-14-9-7-13(17-2)8-10-14/h3-10,16H,11H2,1-2H3
InChIKeyMZFMWBVFRIBICR-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.57
Rot. Bonds5

About 1-[2-(4-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine

1-[2-(4-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine (PubChem CID 667612) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine
PubChem CID667612
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name1-[2-(4-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine
SMILESCNCc1ccccc1Sc1ccc(OC)cc1
InChIInChI=1S/C15H17NOS/c1-16-11-12-5-3-4-6-15(12)18-14-9-7-13(17-2)8-10-14/h3-10,16H,11H2,1-2H3
InChIKeyMZFMWBVFRIBICR-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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine (CID 667612) is 1-[2-(4-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine is CNCc1ccccc1Sc1ccc(OC)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine?
The InChIKey is MZFMWBVFRIBICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-16-11-12-5-3-4-6-15(12)18-14-9-7-13(17-2)8-10-14/h3-10,16H,11H2,1-2H3.
What are the key properties of 1-[2-(4-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine?
1-[2-(4-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-(4-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine is sourced from PubChem (CID 667612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).