1-(2,4-dimethoxyphenyl)-N-methyl-2-(2-methylpropylsulfinyl)ethanamine

C15H25NO3S — CID 64651646

IUPAC1-(2,4-dimethoxyphenyl)-N-methyl-2-(2-methylpropylsulfinyl)ethanamine
SMILESCNC(CS(=O)CC(C)C)c1ccc(OC)cc1OC
InChIInChI=1S/C15H25NO3S/c1-11(2)9-20(17)10-14(16-3)13-7-6-12(18-4)8-15(13)19-5/h6-8,11,14,16H,9-10H2,1-5H3
InChIKeyRHAXCNWIFFRAMR-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.37
Rot. Bonds8

About 1-(2,4-dimethoxyphenyl)-N-methyl-2-(2-methylpropylsulfinyl)ethanamine

1-(2,4-dimethoxyphenyl)-N-methyl-2-(2-methylpropylsulfinyl)ethanamine (PubChem CID 64651646) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N-methyl-2-(2-methylpropylsulfinyl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N-methyl-2-(2-methylpropylsulfinyl)ethanamine
PubChem CID64651646
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name1-(2,4-dimethoxyphenyl)-N-methyl-2-(2-methylpropylsulfinyl)ethanamine
SMILESCNC(CS(=O)CC(C)C)c1ccc(OC)cc1OC
InChIInChI=1S/C15H25NO3S/c1-11(2)9-20(17)10-14(16-3)13-7-6-12(18-4)8-15(13)19-5/h6-8,11,14,16H,9-10H2,1-5H3
InChIKeyRHAXCNWIFFRAMR-UHFFFAOYSA-N
XLogP2.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-dimethoxyphenyl)-4-(methylamino)butan-1-ol
CID 116952940
2-butan-2-ylsulfonyl-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 64646885
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
1-(2,4-dimethoxyphenyl)-N-methyl-2-pentan-2-yloxyethanamine
CID 102981296
N-[1-(2,4-dimethoxyphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine
CID 64656011
1-(2,4-dimethoxyphenyl)-N-methylheptan-1-amine
CID 114752343
1-(2,4-dimethoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
CID 19439911
1-(2,4-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine
CID 43483666
1-(2,4-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 115863936
N-ethyl-1-(4-methoxyphenyl)-2-(2-methylpropylsulfinyl)ethanamine
CID 64652051
1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol
CID 116859416
1-(2,4-dimethoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 43496064

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-N-methyl-2-(2-methylpropylsulfinyl)ethanamine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N-methyl-2-(2-methylpropylsulfinyl)ethanamine (CID 64651646) is 1-(2,4-dimethoxyphenyl)-N-methyl-2-(2-methylpropylsulfinyl)ethanamine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N-methyl-2-(2-methylpropylsulfinyl)ethanamine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N-methyl-2-(2-methylpropylsulfinyl)ethanamine is CNC(CS(=O)CC(C)C)c1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N-methyl-2-(2-methylpropylsulfinyl)ethanamine?
The InChIKey is RHAXCNWIFFRAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-11(2)9-20(17)10-14(16-3)13-7-6-12(18-4)8-15(13)19-5/h6-8,11,14,16H,9-10H2,1-5H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-N-methyl-2-(2-methylpropylsulfinyl)ethanamine?
1-(2,4-dimethoxyphenyl)-N-methyl-2-(2-methylpropylsulfinyl)ethanamine has a molecular weight of 299.44 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-N-methyl-2-(2-methylpropylsulfinyl)ethanamine is sourced from PubChem (CID 64651646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).