1-(2-methoxyphenyl)-2-propylsulfinylethanamine

C12H19NO2S — CID 64652580

IUPAC1-(2-methoxyphenyl)-2-propylsulfinylethanamine
SMILESCCCS(=O)CC(N)c1ccccc1OC
InChIInChI=1S/C12H19NO2S/c1-3-8-16(14)9-11(13)10-6-4-5-7-12(10)15-2/h4-7,11H,3,8-9,13H2,1-2H3
InChIKeyQGBSTRUHPDXETL-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.85
Rot. Bonds6

About 1-(2-methoxyphenyl)-2-propylsulfinylethanamine

1-(2-methoxyphenyl)-2-propylsulfinylethanamine (PubChem CID 64652580) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-propylsulfinylethanamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-propylsulfinylethanamine
PubChem CID64652580
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name1-(2-methoxyphenyl)-2-propylsulfinylethanamine
SMILESCCCS(=O)CC(N)c1ccccc1OC
InChIInChI=1S/C12H19NO2S/c1-3-8-16(14)9-11(13)10-6-4-5-7-12(10)15-2/h4-7,11H,3,8-9,13H2,1-2H3
InChIKeyQGBSTRUHPDXETL-UHFFFAOYSA-N
XLogP1.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-methylphenyl)-2-propylsulfinylethanamine
CID 64653186
1-naphthalen-1-yl-2-propylsulfinylethanamine
CID 64653401
2-[(2-chlorophenyl)methylsulfinyl]-1-(2-methoxyphenyl)ethanamine
CID 103290531
2-[2-amino-2-(2-methoxyphenyl)ethyl]sulfinyl-N-methylacetamide
CID 114232067
1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine
CID 107759587
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
(1S)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 51699599
1-(2-methoxy-5-methylphenyl)-2-(3-methylbutylsulfinyl)ethanamine
CID 107760481
1-(2-ethoxyphenyl)-N-methyl-2-propylsulfinylethanamine
CID 64652372
(1S)-1-(2-methoxyphenyl)propane-1,3-diamine
CID 171219974
2-amino-2-(2-methoxyphenyl)ethanol
CID 10352062
3-ethyl-1-(2-methoxyphenyl)pentan-1-amine
CID 82919557

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-propylsulfinylethanamine?
The IUPAC name of 1-(2-methoxyphenyl)-2-propylsulfinylethanamine (CID 64652580) is 1-(2-methoxyphenyl)-2-propylsulfinylethanamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-propylsulfinylethanamine?
The canonical SMILES for 1-(2-methoxyphenyl)-2-propylsulfinylethanamine is CCCS(=O)CC(N)c1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-2-propylsulfinylethanamine?
The InChIKey is QGBSTRUHPDXETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-3-8-16(14)9-11(13)10-6-4-5-7-12(10)15-2/h4-7,11H,3,8-9,13H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-2-propylsulfinylethanamine?
1-(2-methoxyphenyl)-2-propylsulfinylethanamine has a molecular weight of 241.36 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-propylsulfinylethanamine is sourced from PubChem (CID 64652580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).