1-(4-methoxyphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine

C15H25NO3S — CID 107759604

IUPAC1-(4-methoxyphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine
SMILESCCC(C)CS(=O)(=O)CC(NC)c1ccc(OC)cc1
InChIInChI=1S/C15H25NO3S/c1-5-12(2)10-20(17,18)11-15(16-3)13-6-8-14(19-4)9-7-13/h6-9,12,15-16H,5,10-11H2,1-4H3
InChIKeyHDCXDTPMYCKHOE-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.42
Rot. Bonds8

About 1-(4-methoxyphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine

1-(4-methoxyphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine (PubChem CID 107759604) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine
PubChem CID107759604
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name1-(4-methoxyphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine
SMILESCCC(C)CS(=O)(=O)CC(NC)c1ccc(OC)cc1
InChIInChI=1S/C15H25NO3S/c1-5-12(2)10-20(17,18)11-15(16-3)13-6-8-14(19-4)9-7-13/h6-9,12,15-16H,5,10-11H2,1-4H3
InChIKeyHDCXDTPMYCKHOE-UHFFFAOYSA-N
XLogP2.42
TPSA55.40 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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-(4-methoxyphenyl)-2-(methylamino)ethyl]sulfonylacetate
CID 64676552
1-(4-methoxyphenyl)-N-methyl-2-(2-methylsulfonylethylsulfonyl)ethanamine
CID 64646603
2-butan-2-ylsulfinyl-1-(4-methoxyphenyl)-N-methylethanamine
CID 64658169
1-(4-methoxyphenyl)-N-methyl-2-thiophen-2-ylsulfonylethanamine
CID 64645996
1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine
CID 107759707
1-(3-methoxyphenyl)-N-methyl-2-pentylsulfonylethanamine
CID 107758622
1-(4-methoxyphenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949687
2-chloro-1-(4-methoxyphenyl)-N-methylethanamine
CID 116952568
N-ethyl-1-(4-methoxyphenyl)-2-pentylsulfonylethanamine
CID 107758512
N-[1-(4-methoxyphenyl)propyl]butan-2-amine
CID 43190279
1-(4-methoxyphenyl)-N-methyl-2-propan-2-ylsulfonylpropan-1-amine
CID 64674623
1-(4-methoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfonylethanamine
CID 107758027

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine?
The IUPAC name of 1-(4-methoxyphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine (CID 107759604) is 1-(4-methoxyphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine is CCC(C)CS(=O)(=O)CC(NC)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine?
The InChIKey is HDCXDTPMYCKHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-5-12(2)10-20(17,18)11-15(16-3)13-6-8-14(19-4)9-7-13/h6-9,12,15-16H,5,10-11H2,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine?
1-(4-methoxyphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine has a molecular weight of 299.44 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine is sourced from PubChem (CID 107759604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).