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

C14H23NO2S — CID 107772501

IUPAC3-[2-(3-methoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-2-ol
SMILESCNC(CSC(C)C(C)O)c1cccc(OC)c1
InChIInChI=1S/C14H23NO2S/c1-10(16)11(2)18-9-14(15-3)12-6-5-7-13(8-12)17-4/h5-8,10-11,14-16H,9H2,1-4H3
InChIKeyTZMDFPDCIIVQCM-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.46
Rot. Bonds7

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

3-[2-(3-methoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-2-ol (PubChem CID 107772501) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 3-[2-(3-methoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-2-ol.

Molecular Properties

Compound Name3-[2-(3-methoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-2-ol
PubChem CID107772501
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name3-[2-(3-methoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-2-ol
SMILESCNC(CSC(C)C(C)O)c1cccc(OC)c1
InChIInChI=1S/C14H23NO2S/c1-10(16)11(2)18-9-14(15-3)12-6-5-7-13(8-12)17-4/h5-8,10-11,14-16H,9H2,1-4H3
InChIKeyTZMDFPDCIIVQCM-UHFFFAOYSA-N
XLogP2.46
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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

3-[2-(3-methoxyphenyl)-2-(methylamino)ethyl]sulfanylpropane-1,2-diol
CID 79671248
N-ethyl-1-(3-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethanamine
CID 107763373
1-(3-methoxyphenyl)-1-(methylamino)propan-2-ol
CID 116859509
1-(3-methoxyphenyl)-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine
CID 64627923
1-(3-methoxyphenyl)-2-(methylamino)propan-1-ol
CID 82281926
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methylamino)ethyl]sulfanylbutan-2-ol
CID 107772503
2-(2,2-difluoroethoxy)-1-(3-methoxyphenyl)-N-methylethanamine
CID 82004737
1-(3-methoxyphenyl)-N-methyloctan-1-amine
CID 62606041
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
1-(3-methoxyphenyl)-N-methyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 64626537
5-(3-methoxyphenyl)heptane-2,3-diol
CID 83928989
(1R)-1-(3-methoxyphenyl)-2-methylbutan-1-ol
CID 102519814

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-2-ol?
The IUPAC name of 3-[2-(3-methoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-2-ol (CID 107772501) is 3-[2-(3-methoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-2-ol.
What is the SMILES notation for 3-[2-(3-methoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-2-ol?
The canonical SMILES for 3-[2-(3-methoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-2-ol is CNC(CSC(C)C(C)O)c1cccc(OC)c1.
What is the InChIKey of 3-[2-(3-methoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-2-ol?
The InChIKey is TZMDFPDCIIVQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-10(16)11(2)18-9-14(15-3)12-6-5-7-13(8-12)17-4/h5-8,10-11,14-16H,9H2,1-4H3.
What are the key properties of 3-[2-(3-methoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-2-ol?
3-[2-(3-methoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-2-ol has a molecular weight of 269.41 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-2-ol is sourced from PubChem (CID 107772501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).