1-[2-(methylamino)ethoxy]-3-phenylsulfanylpropan-2-ol

C12H19NO2S — CID 2865053

IUPAC1-[2-(methylamino)ethoxy]-3-phenylsulfanylpropan-2-ol
SMILESCNCCOCC(O)CSc1ccccc1
InChIInChI=1S/C12H19NO2S/c1-13-7-8-15-9-11(14)10-16-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3
InChIKeyKMJLFRCREMBWTO-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.38
Rot. Bonds8

About 1-[2-(methylamino)ethoxy]-3-phenylsulfanylpropan-2-ol

1-[2-(methylamino)ethoxy]-3-phenylsulfanylpropan-2-ol (PubChem CID 2865053) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-[2-(methylamino)ethoxy]-3-phenylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(methylamino)ethoxy]-3-phenylsulfanylpropan-2-ol
PubChem CID2865053
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name1-[2-(methylamino)ethoxy]-3-phenylsulfanylpropan-2-ol
SMILESCNCCOCC(O)CSc1ccccc1
InChIInChI=1S/C12H19NO2S/c1-13-7-8-15-9-11(14)10-16-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3
InChIKeyKMJLFRCREMBWTO-UHFFFAOYSA-N
XLogP1.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Amino-2-phenylthio-2-propanol
CID 113732
Ethanol, 2-((1-methyl-2-(phenylthio)ethyl)amino)-
CID 22171
1-(2-Fluorophenyl)sulfanyl-3-(propan-2-ylamino)propan-2-ol
CID 43166335
1-[(2-Fluorophenyl)thio]-3-(propylamino)-2-propanol
CID 43166336
1-(Ethylamino)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 43166337
1-(4-Fluorophenyl)sulfanyl-3-(propan-2-ylamino)propan-2-ol
CID 43166356
1-(4-Fluorophenyl)sulfanyl-3-(propylamino)propan-2-ol
CID 43166357
1-(Ethylamino)-3-(4-fluorophenyl)sulfanylpropan-2-ol
CID 43166358
1-(3,4-Difluorophenyl)sulfanyl-3-(propylamino)propan-2-ol
CID 43167468
1-(2,4-Difluorophenyl)sulfanyl-3-(methylamino)propan-2-ol
CID 43167567
1-(2-Fluorophenyl)sulfanyl-3-(methylamino)propan-2-ol
CID 43188098
1-(4-Fluorophenyl)sulfanyl-3-(methylamino)propan-2-ol
CID 43188110

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)ethoxy]-3-phenylsulfanylpropan-2-ol?
The IUPAC name of 1-[2-(methylamino)ethoxy]-3-phenylsulfanylpropan-2-ol (CID 2865053) is 1-[2-(methylamino)ethoxy]-3-phenylsulfanylpropan-2-ol.
What is the SMILES notation for 1-[2-(methylamino)ethoxy]-3-phenylsulfanylpropan-2-ol?
The canonical SMILES for 1-[2-(methylamino)ethoxy]-3-phenylsulfanylpropan-2-ol is CNCCOCC(O)CSc1ccccc1.
What is the InChIKey of 1-[2-(methylamino)ethoxy]-3-phenylsulfanylpropan-2-ol?
The InChIKey is KMJLFRCREMBWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-13-7-8-15-9-11(14)10-16-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3.
What are the key properties of 1-[2-(methylamino)ethoxy]-3-phenylsulfanylpropan-2-ol?
1-[2-(methylamino)ethoxy]-3-phenylsulfanylpropan-2-ol has a molecular weight of 241.36 g/mol, XLogP of 1.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)ethoxy]-3-phenylsulfanylpropan-2-ol is sourced from PubChem (CID 2865053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).