3-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-1-ol

C14H23NO2S — CID 66138442

IUPAC3-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-1-ol
SMILESCNC(CSC(C)CCO)c1ccccc1OC
InChIInChI=1S/C14H23NO2S/c1-11(8-9-16)18-10-13(15-2)12-6-4-5-7-14(12)17-3/h4-7,11,13,15-16H,8-10H2,1-3H3
InChIKeyHPGWSVQXPAUXDO-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.46
Rot. Bonds8

About 3-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-1-ol

3-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-1-ol (PubChem CID 66138442) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 3-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-1-ol
PubChem CID66138442
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name3-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-1-ol
SMILESCNC(CSC(C)CCO)c1ccccc1OC
InChIInChI=1S/C14H23NO2S/c1-11(8-9-16)18-10-13(15-2)12-6-4-5-7-14(12)17-3/h4-7,11,13,15-16H,8-10H2,1-3H3
InChIKeyHPGWSVQXPAUXDO-UHFFFAOYSA-N
XLogP2.46
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine
CID 64627721
3-(2-methoxyphenyl)pentane-1,5-diol
CID 51050570
2-butan-2-ylsulfanyl-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 65136492
1-(2-methoxyphenyl)-N-methylhexan-1-amine
CID 62608289
2-butan-2-ylsulfanyl-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 64612602
N-methyl-2-propan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanamine
CID 104660213
2-butan-2-ylsulfanyl-1-(5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 65136022
4-(2-methoxyphenyl)-4-(methylamino)butanoic acid
CID 112517908
3-[2-(ethylamino)-2-(4-methoxyphenyl)ethyl]sulfanylbutan-1-ol
CID 66138225
4-[1-(2-methoxyphenyl)ethylamino]-3-methylbutan-1-ol
CID 66092261
1-(2-methoxyphenyl)butane-1,2,4-triol
CID 171871923
N-[1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine
CID 107763360

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-1-ol?
The IUPAC name of 3-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-1-ol (CID 66138442) is 3-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-1-ol.
What is the SMILES notation for 3-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-1-ol?
The canonical SMILES for 3-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-1-ol is CNC(CSC(C)CCO)c1ccccc1OC.
What is the InChIKey of 3-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-1-ol?
The InChIKey is HPGWSVQXPAUXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-11(8-9-16)18-10-13(15-2)12-6-4-5-7-14(12)17-3/h4-7,11,13,15-16H,8-10H2,1-3H3.
What are the key properties of 3-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-1-ol?
3-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-1-ol has a molecular weight of 269.41 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-1-ol is sourced from PubChem (CID 66138442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).