1-(3,4-dimethoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine

C13H21NO2S — CID 105141261

IUPAC1-(3,4-dimethoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine
SMILESCNC(CCSC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C13H21NO2S/c1-14-11(7-8-17-4)10-5-6-12(15-2)13(9-10)16-3/h5-6,9,11,14H,7-8H2,1-4H3
InChIKeySMCHMPGWEOIUNL-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.72
Rot. Bonds7

About 1-(3,4-dimethoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine

1-(3,4-dimethoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine (PubChem CID 105141261) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine
PubChem CID105141261
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name1-(3,4-dimethoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine
SMILESCNC(CCSC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C13H21NO2S/c1-14-11(7-8-17-4)10-5-6-12(15-2)13(9-10)16-3/h5-6,9,11,14H,7-8H2,1-4H3
InChIKeySMCHMPGWEOIUNL-UHFFFAOYSA-N
XLogP2.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-methylbutan-1-amine
CID 43481153
1-(3,4-dimethoxyphenyl)-N-methylbutane-1,4-diamine
CID 116949261
1-(5-fluoro-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105176598
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105180217
1-(3,4-dimethoxyphenyl)-N-methyl-2-(2-methylbutylsulfanyl)ethanamine
CID 107763776
1-(4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105088240
1-(4-methoxy-2,3,6-trimethylphenyl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 116831668
1-(3-chloro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 43480902
1-(3,4-dimethoxyphenyl)-N'-[2-(dimethylamino)ethyl]-N,N'-dimethylethane-1,2-diamine
CID 63693627
1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
1-(3,4-dimethoxyphenyl)-N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 64649527
2-methoxy-5-[1-(methylamino)propyl]phenol
CID 83830986

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine (CID 105141261) is 1-(3,4-dimethoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine is CNC(CCSC)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine?
The InChIKey is SMCHMPGWEOIUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-14-11(7-8-17-4)10-5-6-12(15-2)13(9-10)16-3/h5-6,9,11,14H,7-8H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine?
1-(3,4-dimethoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine has a molecular weight of 255.38 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 105141261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).