3-amino-1-(4-ethoxyphenyl)-2-thiophen-2-ylpropan-1-ol

C15H19NO2S — CID 65190142

IUPAC3-amino-1-(4-ethoxyphenyl)-2-thiophen-2-ylpropan-1-ol
SMILESCCOc1ccc(C(O)C(CN)c2cccs2)cc1
InChIInChI=1S/C15H19NO2S/c1-2-18-12-7-5-11(6-8-12)15(17)13(10-16)14-4-3-9-19-14/h3-9,13,15,17H,2,10,16H2,1H3
InChIKeyAKNCNSPVXAHZPO-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.92
Rot. Bonds6

About 3-amino-1-(4-ethoxyphenyl)-2-thiophen-2-ylpropan-1-ol

3-amino-1-(4-ethoxyphenyl)-2-thiophen-2-ylpropan-1-ol (PubChem CID 65190142) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 3-amino-1-(4-ethoxyphenyl)-2-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(4-ethoxyphenyl)-2-thiophen-2-ylpropan-1-ol
PubChem CID65190142
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name3-amino-1-(4-ethoxyphenyl)-2-thiophen-2-ylpropan-1-ol
SMILESCCOc1ccc(C(O)C(CN)c2cccs2)cc1
InChIInChI=1S/C15H19NO2S/c1-2-18-12-7-5-11(6-8-12)15(17)13(10-16)14-4-3-9-19-14/h3-9,13,15,17H,2,10,16H2,1H3
InChIKeyAKNCNSPVXAHZPO-UHFFFAOYSA-N
XLogP2.92
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-phenyl-2-thiophen-2-ylpropan-1-ol
CID 65190294
1-amino-4-methyl-2-thiophen-2-ylhexan-3-ol
CID 65190352
3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65189371
3-amino-2-(3,4-dimethylphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65189679
3-amino-1-cyclopropyl-2-(4-ethoxyphenyl)propan-1-ol
CID 65187865
1-(4-ethoxyphenyl)-2,2-difluoroethanol
CID 80604264
3-amino-2-(2-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65190276
1-[(S)-(4-ethoxyphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171287098
3-amino-1-(2,6-difluoro-3-methylphenyl)-2-thiophen-2-ylpropan-1-ol
CID 82819024
amino-(4-ethoxyphenyl)methanol
CID 116939610
3-amino-1-(2,5-difluorophenyl)-2-thiophen-2-ylpropan-1-ol
CID 65190198
3-amino-1-(2,5-dichlorothiophen-3-yl)-2-thiophen-2-ylpropan-1-ol
CID 107966805

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-ethoxyphenyl)-2-thiophen-2-ylpropan-1-ol?
The IUPAC name of 3-amino-1-(4-ethoxyphenyl)-2-thiophen-2-ylpropan-1-ol (CID 65190142) is 3-amino-1-(4-ethoxyphenyl)-2-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(4-ethoxyphenyl)-2-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 3-amino-1-(4-ethoxyphenyl)-2-thiophen-2-ylpropan-1-ol is CCOc1ccc(C(O)C(CN)c2cccs2)cc1.
What is the InChIKey of 3-amino-1-(4-ethoxyphenyl)-2-thiophen-2-ylpropan-1-ol?
The InChIKey is AKNCNSPVXAHZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-2-18-12-7-5-11(6-8-12)15(17)13(10-16)14-4-3-9-19-14/h3-9,13,15,17H,2,10,16H2,1H3.
What are the key properties of 3-amino-1-(4-ethoxyphenyl)-2-thiophen-2-ylpropan-1-ol?
3-amino-1-(4-ethoxyphenyl)-2-thiophen-2-ylpropan-1-ol has a molecular weight of 277.39 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-ethoxyphenyl)-2-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 65190142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).