1-(2-methoxy-5-methylphenyl)-N-methyl-2-(oxan-4-ylsulfinyl)ethanamine

C16H25NO3S — CID 64655258

IUPAC1-(2-methoxy-5-methylphenyl)-N-methyl-2-(oxan-4-ylsulfinyl)ethanamine
SMILESCNC(CS(=O)C1CCOCC1)c1cc(C)ccc1OC
InChIInChI=1S/C16H25NO3S/c1-12-4-5-16(19-3)14(10-12)15(17-2)11-21(18)13-6-8-20-9-7-13/h4-5,10,13,15,17H,6-9,11H2,1-3H3
InChIKeyIVBDMLGNCIRDSG-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.19
Rot. Bonds6

About 1-(2-methoxy-5-methylphenyl)-N-methyl-2-(oxan-4-ylsulfinyl)ethanamine

1-(2-methoxy-5-methylphenyl)-N-methyl-2-(oxan-4-ylsulfinyl)ethanamine (PubChem CID 64655258) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-N-methyl-2-(oxan-4-ylsulfinyl)ethanamine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-N-methyl-2-(oxan-4-ylsulfinyl)ethanamine
PubChem CID64655258
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name1-(2-methoxy-5-methylphenyl)-N-methyl-2-(oxan-4-ylsulfinyl)ethanamine
SMILESCNC(CS(=O)C1CCOCC1)c1cc(C)ccc1OC
InChIInChI=1S/C16H25NO3S/c1-12-4-5-16(19-3)14(10-12)15(17-2)11-21(18)13-6-8-20-9-7-13/h4-5,10,13,15,17H,6-9,11H2,1-3H3
InChIKeyIVBDMLGNCIRDSG-UHFFFAOYSA-N
XLogP2.19
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethoxyphenyl)-N-methyl-2-(oxan-4-ylsulfinyl)ethanamine
CID 64656878
[1-(2-methoxy-5-methylphenyl)-2-(oxan-4-yl)ethyl]hydrazine
CID 105298761
1-(2-methoxy-5-methylphenyl)-N-methylbutan-1-amine
CID 43626227
1-(2,5-dimethoxyphenyl)-N-methyl-2-(oxan-4-ylsulfanyl)ethanamine
CID 64627745
3-methoxy-1-(2-methoxy-5-methylphenyl)-N-methylpropan-1-amine
CID 62797159
1-(2-methoxy-5-methylphenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949690
2-(3,4-dimethylpyrrolidin-1-yl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 79188328
1-(2-methoxy-5-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43685228
3-(2-methoxy-5-methylphenyl)-3-(methylamino)propanenitrile
CID 116955091
1-(2-methoxy-5-methylphenyl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 115848296
1-(2-methoxy-5-methylphenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 115860856
3-amino-2-(2-methoxy-5-methylphenyl)-1-(oxan-4-yl)propan-1-ol
CID 65185434

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-methyl-2-(oxan-4-ylsulfinyl)ethanamine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-methyl-2-(oxan-4-ylsulfinyl)ethanamine (CID 64655258) is 1-(2-methoxy-5-methylphenyl)-N-methyl-2-(oxan-4-ylsulfinyl)ethanamine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-N-methyl-2-(oxan-4-ylsulfinyl)ethanamine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-N-methyl-2-(oxan-4-ylsulfinyl)ethanamine is CNC(CS(=O)C1CCOCC1)c1cc(C)ccc1OC.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-N-methyl-2-(oxan-4-ylsulfinyl)ethanamine?
The InChIKey is IVBDMLGNCIRDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-12-4-5-16(19-3)14(10-12)15(17-2)11-21(18)13-6-8-20-9-7-13/h4-5,10,13,15,17H,6-9,11H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-N-methyl-2-(oxan-4-ylsulfinyl)ethanamine?
1-(2-methoxy-5-methylphenyl)-N-methyl-2-(oxan-4-ylsulfinyl)ethanamine has a molecular weight of 311.45 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-N-methyl-2-(oxan-4-ylsulfinyl)ethanamine is sourced from PubChem (CID 64655258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).