2-[4-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]ethanol

C16H21NO2S — CID 90229934

IUPAC2-[4-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]ethanol
SMILESCNCC[C@H](Oc1ccc(CCO)cc1)c1cccs1
InChIInChI=1S/C16H21NO2S/c1-17-10-8-15(16-3-2-12-20-16)19-14-6-4-13(5-7-14)9-11-18/h2-7,12,15,17-18H,8-11H2,1H3/t15-/m0/s1
InChIKeyOAEMFLGMZNYRKM-HNNXBMFYSA-N
MW291.42 g/mol
LogP3.01
Rot. Bonds8

About 2-[4-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]ethanol

2-[4-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]ethanol (PubChem CID 90229934) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-[4-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]ethanol
PubChem CID90229934
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name2-[4-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]ethanol
SMILESCNCC[C@H](Oc1ccc(CCO)cc1)c1cccs1
InChIInChI=1S/C16H21NO2S/c1-17-10-8-15(16-3-2-12-20-16)19-14-6-4-13(5-7-14)9-11-18/h2-7,12,15,17-18H,8-11H2,1H3/t15-/m0/s1
InChIKeyOAEMFLGMZNYRKM-HNNXBMFYSA-N
XLogP3.01
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]ethanol?
The IUPAC name of 2-[4-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]ethanol (CID 90229934) is 2-[4-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]ethanol.
What is the SMILES notation for 2-[4-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]ethanol?
The canonical SMILES for 2-[4-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]ethanol is CNCC[C@H](Oc1ccc(CCO)cc1)c1cccs1.
What is the InChIKey of 2-[4-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]ethanol?
The InChIKey is OAEMFLGMZNYRKM-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-17-10-8-15(16-3-2-12-20-16)19-14-6-4-13(5-7-14)9-11-18/h2-7,12,15,17-18H,8-11H2,1H3/t15-/m0/s1.
What are the key properties of 2-[4-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]ethanol?
2-[4-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]ethanol has a molecular weight of 291.42 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]ethanol is sourced from PubChem (CID 90229934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).