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

C15H20ClNOS — CID 3039255

IUPAC3-(dimethylamino)-1-phenyl-1-thiophen-2-ylpropan-1-ol;hydrochloride
SMILESCN(C)CCC(O)(c1ccccc1)c1cccs1.Cl
InChIInChI=1S/C15H19NOS.ClH/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;1H
InChIKeySQLSMZFVJKZBKY-UHFFFAOYSA-N
MW297.85 g/mol
LogP3.36
Rot. Bonds5

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

3-(dimethylamino)-1-phenyl-1-thiophen-2-ylpropan-1-ol;hydrochloride (PubChem CID 3039255) has the molecular formula C15H20ClNOS and a molecular weight of 297.85 g/mol. Its IUPAC name is 3-(dimethylamino)-1-phenyl-1-thiophen-2-ylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-(dimethylamino)-1-phenyl-1-thiophen-2-ylpropan-1-ol;hydrochloride
PubChem CID3039255
Molecular FormulaC15H20ClNOS
Molecular Weight297.85 g/mol
Exact Mass297.10
IUPAC Name3-(dimethylamino)-1-phenyl-1-thiophen-2-ylpropan-1-ol;hydrochloride
SMILESCN(C)CCC(O)(c1ccccc1)c1cccs1.Cl
InChIInChI=1S/C15H19NOS.ClH/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;1H
InChIKeySQLSMZFVJKZBKY-UHFFFAOYSA-N
XLogP3.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.85
LogP ≤ 53.36
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;hydrochloride?
The IUPAC name of 3-(dimethylamino)-1-phenyl-1-thiophen-2-ylpropan-1-ol;hydrochloride (CID 3039255) is 3-(dimethylamino)-1-phenyl-1-thiophen-2-ylpropan-1-ol;hydrochloride.
What is the SMILES notation for 3-(dimethylamino)-1-phenyl-1-thiophen-2-ylpropan-1-ol;hydrochloride?
The canonical SMILES for 3-(dimethylamino)-1-phenyl-1-thiophen-2-ylpropan-1-ol;hydrochloride is CN(C)CCC(O)(c1ccccc1)c1cccs1.Cl.
What is the InChIKey of 3-(dimethylamino)-1-phenyl-1-thiophen-2-ylpropan-1-ol;hydrochloride?
The InChIKey is SQLSMZFVJKZBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS.ClH/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;1H.
What are the key properties of 3-(dimethylamino)-1-phenyl-1-thiophen-2-ylpropan-1-ol;hydrochloride?
3-(dimethylamino)-1-phenyl-1-thiophen-2-ylpropan-1-ol;hydrochloride has a molecular weight of 297.85 g/mol, XLogP of 3.36, 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;hydrochloride is sourced from PubChem (CID 3039255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).