N-ethyl-1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine

C16H27NO2S — CID 107759551

IUPACN-ethyl-1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine
SMILESCCNC(CS(=O)C(C)C(C)C)c1ccccc1OC
InChIInChI=1S/C16H27NO2S/c1-6-17-15(11-20(18)13(4)12(2)3)14-9-7-8-10-16(14)19-5/h7-10,12-13,15,17H,6,11H2,1-5H3
InChIKeyYRTUTKRVUVZHFU-UHFFFAOYSA-N
MW297.46 g/mol
LogP3.14
Rot. Bonds8

About N-ethyl-1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine

N-ethyl-1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine (PubChem CID 107759551) has the molecular formula C16H27NO2S and a molecular weight of 297.46 g/mol. Its IUPAC name is N-ethyl-1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine
PubChem CID107759551
Molecular FormulaC16H27NO2S
Molecular Weight297.46 g/mol
Exact Mass297.18
IUPAC NameN-ethyl-1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine
SMILESCCNC(CS(=O)C(C)C(C)C)c1ccccc1OC
InChIInChI=1S/C16H27NO2S/c1-6-17-15(11-20(18)13(4)12(2)3)14-9-7-8-10-16(14)19-5/h7-10,12-13,15,17H,6,11H2,1-5H3
InChIKeyYRTUTKRVUVZHFU-UHFFFAOYSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine
CID 107759587
N-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 62066193
2-tert-butylsulfinyl-1-(2-ethoxyphenyl)-N-ethylethanamine
CID 64650902
N-ethyl-1-(2-methoxyphenyl)sulfinylpropan-2-amine
CID 64658239
N-ethyl-3-methoxy-1-(2-methoxyphenyl)-3-methylbutan-1-amine
CID 103024885
N-[1-(2-methoxyphenyl)-2-(3-methylbutylsulfinyl)ethyl]propan-1-amine
CID 107760698
2-cyclopropyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 64904236
N-ethyl-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-amine
CID 64567616
N,N',N'-triethyl-1-(2-methoxyphenyl)propane-1,3-diamine
CID 79087347
1-(2-methoxyphenyl)-N-methyl-2-(2-methylbutylsulfinyl)ethanamine
CID 107760021
2-(2,6-dichlorophenyl)-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 63414322
2-cycloheptyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 115793056

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine?
The IUPAC name of N-ethyl-1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine (CID 107759551) is N-ethyl-1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine?
The canonical SMILES for N-ethyl-1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine is CCNC(CS(=O)C(C)C(C)C)c1ccccc1OC.
What is the InChIKey of N-ethyl-1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine?
The InChIKey is YRTUTKRVUVZHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2S/c1-6-17-15(11-20(18)13(4)12(2)3)14-9-7-8-10-16(14)19-5/h7-10,12-13,15,17H,6,11H2,1-5H3.
What are the key properties of N-ethyl-1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine?
N-ethyl-1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine has a molecular weight of 297.46 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine is sourced from PubChem (CID 107759551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).