3-amino-1-phenyl-2-thiophen-2-ylpropan-1-ol

C13H15NOS — CID 65190294

IUPAC3-amino-1-phenyl-2-thiophen-2-ylpropan-1-ol
SMILESNCC(c1cccs1)C(O)c1ccccc1
InChIInChI=1S/C13H15NOS/c14-9-11(12-7-4-8-16-12)13(15)10-5-2-1-3-6-10/h1-8,11,13,15H,9,14H2
InChIKeyAOZJAEYBJMNDOX-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.52
Rot. Bonds4

About 3-amino-1-phenyl-2-thiophen-2-ylpropan-1-ol

3-amino-1-phenyl-2-thiophen-2-ylpropan-1-ol (PubChem CID 65190294) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 3-amino-1-phenyl-2-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-phenyl-2-thiophen-2-ylpropan-1-ol
PubChem CID65190294
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name3-amino-1-phenyl-2-thiophen-2-ylpropan-1-ol
SMILESNCC(c1cccs1)C(O)c1ccccc1
InChIInChI=1S/C13H15NOS/c14-9-11(12-7-4-8-16-12)13(15)10-5-2-1-3-6-10/h1-8,11,13,15H,9,14H2
InChIKeyAOZJAEYBJMNDOX-UHFFFAOYSA-N
XLogP2.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(4-ethoxyphenyl)-2-thiophen-2-ylpropan-1-ol
CID 65190142
3-amino-1-phenyl-2-pyridin-4-ylpropan-1-ol
CID 80525677
3-amino-2-pyridin-4-yl-1-thiophen-2-ylpropan-1-ol
CID 80525921
3-amino-2-(2-chlorophenyl)-1-phenylpropan-1-ol
CID 65184557
3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65189371
3-amino-1-(2,4-difluorophenyl)-2-thiophen-2-ylpropan-1-ol
CID 65190346
3-amino-1-(2,5-dichlorothiophen-3-yl)-2-thiophen-2-ylpropan-1-ol
CID 107966805
3-amino-1-(2,5-difluorophenyl)-2-thiophen-2-ylpropan-1-ol
CID 65190198
3-amino-1-(2,6-difluoro-3-methylphenyl)-2-thiophen-2-ylpropan-1-ol
CID 82819024
1-phenyl-3-thiophen-2-ylpropane-1,2-diol
CID 103459541
3-amino-2-(2-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65190276
1-amino-6-methyl-2-thiophen-2-ylheptan-3-ol
CID 65190040

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-phenyl-2-thiophen-2-ylpropan-1-ol?
The IUPAC name of 3-amino-1-phenyl-2-thiophen-2-ylpropan-1-ol (CID 65190294) is 3-amino-1-phenyl-2-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 3-amino-1-phenyl-2-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 3-amino-1-phenyl-2-thiophen-2-ylpropan-1-ol is NCC(c1cccs1)C(O)c1ccccc1.
What is the InChIKey of 3-amino-1-phenyl-2-thiophen-2-ylpropan-1-ol?
The InChIKey is AOZJAEYBJMNDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c14-9-11(12-7-4-8-16-12)13(15)10-5-2-1-3-6-10/h1-8,11,13,15H,9,14H2.
What are the key properties of 3-amino-1-phenyl-2-thiophen-2-ylpropan-1-ol?
3-amino-1-phenyl-2-thiophen-2-ylpropan-1-ol has a molecular weight of 233.34 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-phenyl-2-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 65190294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).