1-(4-ethoxyphenyl)-2-(4-methylphenyl)sulfinylethanamine

C17H21NO2S — CID 64659260

IUPAC1-(4-ethoxyphenyl)-2-(4-methylphenyl)sulfinylethanamine
SMILESCCOc1ccc(C(N)CS(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H21NO2S/c1-3-20-15-8-6-14(7-9-15)17(18)12-21(19)16-10-4-13(2)5-11-16/h4-11,17H,3,12,18H2,1-2H3
InChIKeyYZPMJMDSOOCUSA-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.20
Rot. Bonds6

About 1-(4-ethoxyphenyl)-2-(4-methylphenyl)sulfinylethanamine

1-(4-ethoxyphenyl)-2-(4-methylphenyl)sulfinylethanamine (PubChem CID 64659260) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-(4-methylphenyl)sulfinylethanamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-(4-methylphenyl)sulfinylethanamine
PubChem CID64659260
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name1-(4-ethoxyphenyl)-2-(4-methylphenyl)sulfinylethanamine
SMILESCCOc1ccc(C(N)CS(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H21NO2S/c1-3-20-15-8-6-14(7-9-15)17(18)12-21(19)16-10-4-13(2)5-11-16/h4-11,17H,3,12,18H2,1-2H3
InChIKeyYZPMJMDSOOCUSA-UHFFFAOYSA-N
XLogP3.20
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenyl)sulfinyl-1-(4-ethoxyphenyl)ethanamine
CID 64650785
1-(4-ethoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine
CID 107759595
1-(4-ethoxyphenyl)-3-(4-methylphenyl)propan-1-amine
CID 105140871
2-(benzenesulfinyl)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 64659622
1-(4-ethoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine
CID 64626203
[(4-ethoxyphenyl)-(4-methylphenyl)methyl]hydrazine
CID 105194292
(1R)-1-(4-ethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171200689
1-(4-methylphenyl)-2-propan-2-ylsulfinylethanamine
CID 64654570
2-(4-ethoxyphenyl)-2-(4-methylphenyl)acetic acid
CID 82023855
2-(2,4-dimethylphenoxy)-1-(4-ethoxyphenyl)ethanamine
CID 43110699
3-amino-3-(4-ethoxyphenyl)propan-1-ol
CID 3846701
1-(4-ethylphenyl)-2-(4-methylphenoxy)ethanamine
CID 43105094

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-(4-methylphenyl)sulfinylethanamine?
The IUPAC name of 1-(4-ethoxyphenyl)-2-(4-methylphenyl)sulfinylethanamine (CID 64659260) is 1-(4-ethoxyphenyl)-2-(4-methylphenyl)sulfinylethanamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-(4-methylphenyl)sulfinylethanamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-(4-methylphenyl)sulfinylethanamine is CCOc1ccc(C(N)CS(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-(4-methylphenyl)sulfinylethanamine?
The InChIKey is YZPMJMDSOOCUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-3-20-15-8-6-14(7-9-15)17(18)12-21(19)16-10-4-13(2)5-11-16/h4-11,17H,3,12,18H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-2-(4-methylphenyl)sulfinylethanamine?
1-(4-ethoxyphenyl)-2-(4-methylphenyl)sulfinylethanamine has a molecular weight of 303.43 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-(4-methylphenyl)sulfinylethanamine is sourced from PubChem (CID 64659260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).