1-(2,6-dimethoxy-4-methylsulfanylphenyl)propan-2-amine

C12H19NO2S — CID 11300389

IUPAC1-(2,6-dimethoxy-4-methylsulfanylphenyl)propan-2-amine
SMILESCOc1cc(SC)cc(OC)c1CC(C)N
InChIInChI=1S/C12H19NO2S/c1-8(13)5-10-11(14-2)6-9(16-4)7-12(10)15-3/h6-8H,5,13H2,1-4H3
InChIKeyOAFDDZCNQLOKNK-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.32
Rot. Bonds5

About 1-(2,6-dimethoxy-4-methylsulfanylphenyl)propan-2-amine

1-(2,6-dimethoxy-4-methylsulfanylphenyl)propan-2-amine (PubChem CID 11300389) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-(2,6-dimethoxy-4-methylsulfanylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2,6-dimethoxy-4-methylsulfanylphenyl)propan-2-amine
PubChem CID11300389
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name1-(2,6-dimethoxy-4-methylsulfanylphenyl)propan-2-amine
SMILESCOc1cc(SC)cc(OC)c1CC(C)N
InChIInChI=1S/C12H19NO2S/c1-8(13)5-10-11(14-2)6-9(16-4)7-12(10)15-3/h6-8H,5,13H2,1-4H3
InChIKeyOAFDDZCNQLOKNK-UHFFFAOYSA-N
XLogP2.32
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[2,6-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine
CID 101064795
2-fluoro-1,3-dimethoxy-5-methylsulfanylbenzene
CID 130925961
1-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)propan-2-amine;hydrochloride
CID 15915348
1-(3-chloro-2-fluoro-5,6-dimethoxyphenyl)propan-2-amine
CID 117372461
1-(4-ethylsulfanyl-2-methoxyphenyl)propan-2-amine
CID 165123611
1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]propan-2-amine
CID 117465285
1-(3-chloro-2,5,6-trimethoxyphenyl)propan-2-amine
CID 117403670
1-(2-bromo-3-fluoro-6-methoxyphenyl)propan-2-amine
CID 83902067
1-(2-methoxy-4-methylsulfanylphenyl)propan-2-ol
CID 117303281
1-(2,3-dimethyl-5-methylsulfanylphenyl)propan-2-amine
CID 117299560
1-(6-methoxy-2,3-dimethylphenyl)propan-2-amine
CID 117284120
1-(3-chloro-5-methylsulfanylphenyl)propan-2-amine
CID 117307572

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxy-4-methylsulfanylphenyl)propan-2-amine?
The IUPAC name of 1-(2,6-dimethoxy-4-methylsulfanylphenyl)propan-2-amine (CID 11300389) is 1-(2,6-dimethoxy-4-methylsulfanylphenyl)propan-2-amine.
What is the SMILES notation for 1-(2,6-dimethoxy-4-methylsulfanylphenyl)propan-2-amine?
The canonical SMILES for 1-(2,6-dimethoxy-4-methylsulfanylphenyl)propan-2-amine is COc1cc(SC)cc(OC)c1CC(C)N.
What is the InChIKey of 1-(2,6-dimethoxy-4-methylsulfanylphenyl)propan-2-amine?
The InChIKey is OAFDDZCNQLOKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-8(13)5-10-11(14-2)6-9(16-4)7-12(10)15-3/h6-8H,5,13H2,1-4H3.
What are the key properties of 1-(2,6-dimethoxy-4-methylsulfanylphenyl)propan-2-amine?
1-(2,6-dimethoxy-4-methylsulfanylphenyl)propan-2-amine has a molecular weight of 241.36 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxy-4-methylsulfanylphenyl)propan-2-amine is sourced from PubChem (CID 11300389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).