3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanyl-2-methylpropan-1-ol

C15H25NO2S — CID 66103243

IUPAC3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanyl-2-methylpropan-1-ol
SMILESCCOc1ccc(C(CSCC(C)CO)NC)cc1
InChIInChI=1S/C15H25NO2S/c1-4-18-14-7-5-13(6-8-14)15(16-3)11-19-10-12(2)9-17/h5-8,12,15-17H,4,9-11H2,1-3H3
InChIKeyRMPSKWXSCMITAK-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.71
Rot. Bonds9

About 3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanyl-2-methylpropan-1-ol

3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanyl-2-methylpropan-1-ol (PubChem CID 66103243) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanyl-2-methylpropan-1-ol
PubChem CID66103243
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanyl-2-methylpropan-1-ol
SMILESCCOc1ccc(C(CSCC(C)CO)NC)cc1
InChIInChI=1S/C15H25NO2S/c1-4-18-14-7-5-13(6-8-14)15(16-3)11-19-10-12(2)9-17/h5-8,12,15-17H,4,9-11H2,1-3H3
InChIKeyRMPSKWXSCMITAK-UHFFFAOYSA-N
XLogP2.71
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-2-ol
CID 107772633
1-(4-tert-butylphenyl)-N-methyl-2-(2-methylbutylsulfanyl)ethanamine
CID 107763794
1-(4-ethoxyphenyl)-N,5-dimethylhexan-1-amine
CID 105028805
3-[2-amino-2-(4-propoxyphenyl)ethyl]sulfanyl-2-methylpropan-1-ol
CID 66102558
3-[2-(4-tert-butylphenyl)-2-(ethylamino)ethyl]sulfanyl-2-methylpropan-1-ol
CID 66105660
3-(4-ethoxyphenoxy)-2-methylpropan-1-ol
CID 112507833
1-(4-ethoxyphenyl)-N-methylpentan-1-amine
CID 43481859
3-[2-(ethylamino)-2-(4-propylphenyl)ethyl]sulfanyl-2-methylpropan-1-ol
CID 66102568
(4-ethoxyphenyl)-(methylamino)methanol
CID 116954646
N-methyl-1-(4-propan-2-yloxyphenyl)-2-propylsulfanylethanamine
CID 64615512
1-(4-ethoxyphenyl)-N-methyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106447281
2-(2-methoxyethylsulfanyl)-N-methyl-1-(4-propoxyphenyl)ethanamine
CID 64613252

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanyl-2-methylpropan-1-ol?
The IUPAC name of 3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanyl-2-methylpropan-1-ol (CID 66103243) is 3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanyl-2-methylpropan-1-ol.
What is the SMILES notation for 3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanyl-2-methylpropan-1-ol?
The canonical SMILES for 3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanyl-2-methylpropan-1-ol is CCOc1ccc(C(CSCC(C)CO)NC)cc1.
What is the InChIKey of 3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanyl-2-methylpropan-1-ol?
The InChIKey is RMPSKWXSCMITAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-4-18-14-7-5-13(6-8-14)15(16-3)11-19-10-12(2)9-17/h5-8,12,15-17H,4,9-11H2,1-3H3.
What are the key properties of 3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanyl-2-methylpropan-1-ol?
3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanyl-2-methylpropan-1-ol has a molecular weight of 283.44 g/mol, XLogP of 2.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanyl-2-methylpropan-1-ol is sourced from PubChem (CID 66103243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).