2-tert-butylsulfinyl-1-(2-ethoxyphenyl)-N-ethylethanamine

C16H27NO2S — CID 64650902

IUPAC2-tert-butylsulfinyl-1-(2-ethoxyphenyl)-N-ethylethanamine
SMILESCCNC(CS(=O)C(C)(C)C)c1ccccc1OCC
InChIInChI=1S/C16H27NO2S/c1-6-17-14(12-20(18)16(3,4)5)13-10-8-9-11-15(13)19-7-2/h8-11,14,17H,6-7,12H2,1-5H3
InChIKeyXTYUAAYMFHVOBN-UHFFFAOYSA-N
MW297.46 g/mol
LogP3.28
Rot. Bonds7

About 2-tert-butylsulfinyl-1-(2-ethoxyphenyl)-N-ethylethanamine

2-tert-butylsulfinyl-1-(2-ethoxyphenyl)-N-ethylethanamine (PubChem CID 64650902) has the molecular formula C16H27NO2S and a molecular weight of 297.46 g/mol. Its IUPAC name is 2-tert-butylsulfinyl-1-(2-ethoxyphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-tert-butylsulfinyl-1-(2-ethoxyphenyl)-N-ethylethanamine
PubChem CID64650902
Molecular FormulaC16H27NO2S
Molecular Weight297.46 g/mol
Exact Mass297.18
IUPAC Name2-tert-butylsulfinyl-1-(2-ethoxyphenyl)-N-ethylethanamine
SMILESCCNC(CS(=O)C(C)(C)C)c1ccccc1OCC
InChIInChI=1S/C16H27NO2S/c1-6-17-14(12-20(18)16(3,4)5)13-10-8-9-11-15(13)19-7-2/h8-11,14,17H,6-7,12H2,1-5H3
InChIKeyXTYUAAYMFHVOBN-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-tert-butylsulfinyl-1-(2-ethoxyphenyl)-N-ethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butylsulfinyl-N-ethyl-1-naphthalen-1-ylethanamine
CID 64651937
N-[1-(2-ethoxyphenyl)-2-ethylsulfinylethyl]propan-1-amine
CID 64652330
1-(2-ethoxyphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 64632455
1-(2-ethoxyphenyl)-N-ethyl-2-(4-iodophenyl)ethanamine
CID 115533968
N-ethyl-1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine
CID 107759551
1-[2-(3,3-dimethylbutoxy)phenyl]-N-ethylpropan-1-amine
CID 63501142
1-(2-ethoxyphenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine
CID 115853596
1-(2-ethoxyphenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 61066318
1-(2-ethoxyphenyl)-N-methyl-2-propylsulfinylethanamine
CID 64652372
1-(2-ethoxyphenyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 61066488
1-(2-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 62802882
1-(2-ethoxyphenyl)-2-(1-ethoxypropan-2-yloxy)-N-ethylethanamine
CID 103487528

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfinyl-1-(2-ethoxyphenyl)-N-ethylethanamine?
The IUPAC name of 2-tert-butylsulfinyl-1-(2-ethoxyphenyl)-N-ethylethanamine (CID 64650902) is 2-tert-butylsulfinyl-1-(2-ethoxyphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-tert-butylsulfinyl-1-(2-ethoxyphenyl)-N-ethylethanamine?
The canonical SMILES for 2-tert-butylsulfinyl-1-(2-ethoxyphenyl)-N-ethylethanamine is CCNC(CS(=O)C(C)(C)C)c1ccccc1OCC.
What is the InChIKey of 2-tert-butylsulfinyl-1-(2-ethoxyphenyl)-N-ethylethanamine?
The InChIKey is XTYUAAYMFHVOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2S/c1-6-17-14(12-20(18)16(3,4)5)13-10-8-9-11-15(13)19-7-2/h8-11,14,17H,6-7,12H2,1-5H3.
What are the key properties of 2-tert-butylsulfinyl-1-(2-ethoxyphenyl)-N-ethylethanamine?
2-tert-butylsulfinyl-1-(2-ethoxyphenyl)-N-ethylethanamine has a molecular weight of 297.46 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfinyl-1-(2-ethoxyphenyl)-N-ethylethanamine is sourced from PubChem (CID 64650902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).