3-(dimethylamino)-1-phenyl-1-thiophen-2-ylpropan-1-ol

C15H19NOS — CID 3039256

IUPAC3-(dimethylamino)-1-phenyl-1-thiophen-2-ylpropan-1-ol
SMILESCN(C)CCC(O)(c1ccccc1)c1cccs1
InChIInChI=1S/C15H19NOS/c1-16(2)11-10-15(17,14-9-6-12-18-14)13-7-4-3-5-8-13/h3-9,12,17H,10-11H2,1-2H3
InChIKeyUPBQYMMDGOUPSX-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.94
Rot. Bonds5

About 3-(dimethylamino)-1-phenyl-1-thiophen-2-ylpropan-1-ol

3-(dimethylamino)-1-phenyl-1-thiophen-2-ylpropan-1-ol (PubChem CID 3039256) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 3-(dimethylamino)-1-phenyl-1-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-(dimethylamino)-1-phenyl-1-thiophen-2-ylpropan-1-ol
PubChem CID3039256
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name3-(dimethylamino)-1-phenyl-1-thiophen-2-ylpropan-1-ol
SMILESCN(C)CCC(O)(c1ccccc1)c1cccs1
InChIInChI=1S/C15H19NOS/c1-16(2)11-10-15(17,14-9-6-12-18-14)13-7-4-3-5-8-13/h3-9,12,17H,10-11H2,1-2H3
InChIKeyUPBQYMMDGOUPSX-UHFFFAOYSA-N
XLogP2.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-phenyl-1-thiophen-2-ylpropan-1-ol?
The IUPAC name of 3-(dimethylamino)-1-phenyl-1-thiophen-2-ylpropan-1-ol (CID 3039256) is 3-(dimethylamino)-1-phenyl-1-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 3-(dimethylamino)-1-phenyl-1-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 3-(dimethylamino)-1-phenyl-1-thiophen-2-ylpropan-1-ol is CN(C)CCC(O)(c1ccccc1)c1cccs1.
What is the InChIKey of 3-(dimethylamino)-1-phenyl-1-thiophen-2-ylpropan-1-ol?
The InChIKey is UPBQYMMDGOUPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-16(2)11-10-15(17,14-9-6-12-18-14)13-7-4-3-5-8-13/h3-9,12,17H,10-11H2,1-2H3.
What are the key properties of 3-(dimethylamino)-1-phenyl-1-thiophen-2-ylpropan-1-ol?
3-(dimethylamino)-1-phenyl-1-thiophen-2-ylpropan-1-ol has a molecular weight of 261.39 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-phenyl-1-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 3039256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).