2-butan-2-ylsulfinyl-1-(4-methoxyphenyl)-N-methylethanamine

C14H23NO2S — CID 64658169

IUPAC2-butan-2-ylsulfinyl-1-(4-methoxyphenyl)-N-methylethanamine
SMILESCCC(C)S(=O)CC(NC)c1ccc(OC)cc1
InChIInChI=1S/C14H23NO2S/c1-5-11(2)18(16)10-14(15-3)12-6-8-13(17-4)9-7-12/h6-9,11,14-15H,5,10H2,1-4H3
InChIKeyJACWYTQQQWMDIS-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.50
Rot. Bonds7

About 2-butan-2-ylsulfinyl-1-(4-methoxyphenyl)-N-methylethanamine

2-butan-2-ylsulfinyl-1-(4-methoxyphenyl)-N-methylethanamine (PubChem CID 64658169) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-butan-2-ylsulfinyl-1-(4-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-butan-2-ylsulfinyl-1-(4-methoxyphenyl)-N-methylethanamine
PubChem CID64658169
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name2-butan-2-ylsulfinyl-1-(4-methoxyphenyl)-N-methylethanamine
SMILESCCC(C)S(=O)CC(NC)c1ccc(OC)cc1
InChIInChI=1S/C14H23NO2S/c1-5-11(2)18(16)10-14(15-3)12-6-8-13(17-4)9-7-12/h6-9,11,14-15H,5,10H2,1-4H3
InChIKeyJACWYTQQQWMDIS-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine
CID 107759604
N-[2-butan-2-ylsulfinyl-1-(4-ethoxyphenyl)ethyl]propan-1-amine
CID 64651289
1-(4-methoxyphenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949687
N-ethyl-1-(4-methoxyphenyl)-2-(2-methylpropylsulfinyl)ethanamine
CID 64652051
2-(2-fluorophenyl)sulfinyl-1-(4-methoxyphenyl)-N-methylethanamine
CID 64657743
2-chloro-1-(4-methoxyphenyl)-N-methylethanamine
CID 116952568
N-[1-(4-methoxyphenyl)propyl]butan-2-amine
CID 43190279
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 43481478
N'-(2-ethoxyethyl)-1-(4-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine
CID 81056664
N-[1-(4-methoxyphenyl)-2-(2-methylpropylsulfinyl)ethyl]propan-1-amine
CID 64651022
N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 10774699
N-[1-(4-methoxyphenyl)propyl]-2,6-dimethylheptan-4-amine
CID 43720355

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfinyl-1-(4-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-butan-2-ylsulfinyl-1-(4-methoxyphenyl)-N-methylethanamine (CID 64658169) is 2-butan-2-ylsulfinyl-1-(4-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-butan-2-ylsulfinyl-1-(4-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-butan-2-ylsulfinyl-1-(4-methoxyphenyl)-N-methylethanamine is CCC(C)S(=O)CC(NC)c1ccc(OC)cc1.
What is the InChIKey of 2-butan-2-ylsulfinyl-1-(4-methoxyphenyl)-N-methylethanamine?
The InChIKey is JACWYTQQQWMDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-5-11(2)18(16)10-14(15-3)12-6-8-13(17-4)9-7-12/h6-9,11,14-15H,5,10H2,1-4H3.
What are the key properties of 2-butan-2-ylsulfinyl-1-(4-methoxyphenyl)-N-methylethanamine?
2-butan-2-ylsulfinyl-1-(4-methoxyphenyl)-N-methylethanamine has a molecular weight of 269.41 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfinyl-1-(4-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 64658169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).