1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N-methylmethanamine

C16H19NO2S — CID 827373

IUPAC1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N-methylmethanamine
SMILESCNCc1ccccc1Sc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H19NO2S/c1-17-11-12-6-4-5-7-16(12)20-13-8-9-14(18-2)15(10-13)19-3/h4-10,17H,11H2,1-3H3
InChIKeyRWAFMDVIGYZXSU-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.57
Rot. Bonds6

About 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N-methylmethanamine

1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N-methylmethanamine (PubChem CID 827373) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N-methylmethanamine
PubChem CID827373
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N-methylmethanamine
SMILESCNCc1ccccc1Sc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H19NO2S/c1-17-11-12-6-4-5-7-16(12)20-13-8-9-14(18-2)15(10-13)19-3/h4-10,17H,11H2,1-3H3
InChIKeyRWAFMDVIGYZXSU-UHFFFAOYSA-N
XLogP3.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N-methylmethanamine (CID 827373) is 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N-methylmethanamine is CNCc1ccccc1Sc1ccc(OC)c(OC)c1.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N-methylmethanamine?
The InChIKey is RWAFMDVIGYZXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-17-11-12-6-4-5-7-16(12)20-13-8-9-14(18-2)15(10-13)19-3/h4-10,17H,11H2,1-3H3.
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N-methylmethanamine?
1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N-methylmethanamine has a molecular weight of 289.40 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N-methylmethanamine is sourced from PubChem (CID 827373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).