1-(4-methoxy-2,3,6-trimethylphenyl)-N-methyl-3-methylsulfanylpropan-1-amine

C15H25NOS — CID 116831668

IUPAC1-(4-methoxy-2,3,6-trimethylphenyl)-N-methyl-3-methylsulfanylpropan-1-amine
SMILESCNC(CCSC)c1c(C)cc(OC)c(C)c1C
InChIInChI=1S/C15H25NOS/c1-10-9-14(17-5)11(2)12(3)15(10)13(16-4)7-8-18-6/h9,13,16H,7-8H2,1-6H3
InChIKeyBCJKUKJLTYMZDI-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.63
Rot. Bonds6

About 1-(4-methoxy-2,3,6-trimethylphenyl)-N-methyl-3-methylsulfanylpropan-1-amine

1-(4-methoxy-2,3,6-trimethylphenyl)-N-methyl-3-methylsulfanylpropan-1-amine (PubChem CID 116831668) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-(4-methoxy-2,3,6-trimethylphenyl)-N-methyl-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name1-(4-methoxy-2,3,6-trimethylphenyl)-N-methyl-3-methylsulfanylpropan-1-amine
PubChem CID116831668
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name1-(4-methoxy-2,3,6-trimethylphenyl)-N-methyl-3-methylsulfanylpropan-1-amine
SMILESCNC(CCSC)c1c(C)cc(OC)c(C)c1C
InChIInChI=1S/C15H25NOS/c1-10-9-14(17-5)11(2)12(3)15(10)13(16-4)7-8-18-6/h9,13,16H,7-8H2,1-6H3
InChIKeyBCJKUKJLTYMZDI-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-methoxy-4,6-dimethylphenyl)-3-methylsulfanylpropyl]hydrazine
CID 106682918
1-(4-methoxy-2,3,6-trimethylphenyl)-2-methylsulfanylethanol
CID 116830252
1-(3,4-dimethoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105141261
1-(5-fluoro-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105176598
1-(4-methoxy-2,3,6-trimethylphenyl)-N,2-dimethylpropane-1,3-diamine
CID 116948793
2-(4-methoxy-2,3,6-trimethylphenyl)-3-(methylamino)propan-1-ol
CID 116835551
3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propan-1-ol
CID 116952888
(1S)-1-(4-methoxy-2,3,6-trimethylphenyl)ethanamine
CID 95423636
4,4,4-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine
CID 106680772
1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine
CID 116949911
2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylethanamine
CID 116952629
3-(2,5-dimethoxy-3,4-dimethylphenyl)-3-(methylamino)propan-1-ol
CID 116952894

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,3,6-trimethylphenyl)-N-methyl-3-methylsulfanylpropan-1-amine?
The IUPAC name of 1-(4-methoxy-2,3,6-trimethylphenyl)-N-methyl-3-methylsulfanylpropan-1-amine (CID 116831668) is 1-(4-methoxy-2,3,6-trimethylphenyl)-N-methyl-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for 1-(4-methoxy-2,3,6-trimethylphenyl)-N-methyl-3-methylsulfanylpropan-1-amine?
The canonical SMILES for 1-(4-methoxy-2,3,6-trimethylphenyl)-N-methyl-3-methylsulfanylpropan-1-amine is CNC(CCSC)c1c(C)cc(OC)c(C)c1C.
What is the InChIKey of 1-(4-methoxy-2,3,6-trimethylphenyl)-N-methyl-3-methylsulfanylpropan-1-amine?
The InChIKey is BCJKUKJLTYMZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-10-9-14(17-5)11(2)12(3)15(10)13(16-4)7-8-18-6/h9,13,16H,7-8H2,1-6H3.
What are the key properties of 1-(4-methoxy-2,3,6-trimethylphenyl)-N-methyl-3-methylsulfanylpropan-1-amine?
1-(4-methoxy-2,3,6-trimethylphenyl)-N-methyl-3-methylsulfanylpropan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,3,6-trimethylphenyl)-N-methyl-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 116831668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).