3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-2-ol

C15H25NO2S — CID 107772633

IUPAC3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-2-ol
SMILESCCOc1ccc(C(CSC(C)C(C)O)NC)cc1
InChIInChI=1S/C15H25NO2S/c1-5-18-14-8-6-13(7-9-14)15(16-4)10-19-12(3)11(2)17/h6-9,11-12,15-17H,5,10H2,1-4H3
InChIKeySDHUKJLTBWYYMZ-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.85
Rot. Bonds8

About 3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-2-ol

3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-2-ol (PubChem CID 107772633) 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]sulfanylbutan-2-ol.

Molecular Properties

Compound Name3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-2-ol
PubChem CID107772633
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-2-ol
SMILESCCOc1ccc(C(CSC(C)C(C)O)NC)cc1
InChIInChI=1S/C15H25NO2S/c1-5-18-14-8-6-13(7-9-14)15(16-4)10-19-12(3)11(2)17/h6-9,11-12,15-17H,5,10H2,1-4H3
InChIKeySDHUKJLTBWYYMZ-UHFFFAOYSA-N
XLogP2.85
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanyl-2-methylpropan-1-ol
CID 66103243
3-[2-(3-methoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-2-ol
CID 107772501
1-(4-ethoxyphenyl)-N-methylpentan-1-amine
CID 43481859
2-butan-2-ylsulfanyl-N-methyl-1-(4-propoxyphenyl)ethanamine
CID 64613214
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methylamino)ethyl]sulfanylbutan-2-ol
CID 107772503
(4-ethoxyphenyl)-(methylamino)methanol
CID 116954646
1-(4-ethoxyphenyl)-N,5-dimethylhexan-1-amine
CID 105028805
1-(4-ethoxyphenyl)-N-methyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106447281
1-(4-ethoxyphenyl)-N-methylheptan-1-amine
CID 114752328
2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 64613215
1-(4-ethoxyphenyl)-3-(2-methoxyethoxy)-N-methylpropan-1-amine
CID 102928029
1-(4-ethoxyphenyl)-N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 104604579

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-2-ol?
The IUPAC name of 3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-2-ol (CID 107772633) is 3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-2-ol.
What is the SMILES notation for 3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-2-ol?
The canonical SMILES for 3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-2-ol is CCOc1ccc(C(CSC(C)C(C)O)NC)cc1.
What is the InChIKey of 3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-2-ol?
The InChIKey is SDHUKJLTBWYYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-5-18-14-8-6-13(7-9-14)15(16-4)10-19-12(3)11(2)17/h6-9,11-12,15-17H,5,10H2,1-4H3.
What are the key properties of 3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-2-ol?
3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-2-ol has a molecular weight of 283.44 g/mol, XLogP of 2.85, 8 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]sulfanylbutan-2-ol is sourced from PubChem (CID 107772633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).