3-(2-amino-3-thiophen-2-ylpropoxy)phenol

C13H15NO2S — CID 117246145

IUPAC3-(2-amino-3-thiophen-2-ylpropoxy)phenol
SMILESNC(COc1cccc(O)c1)Cc1cccs1
InChIInChI=1S/C13H15NO2S/c14-10(7-13-5-2-6-17-13)9-16-12-4-1-3-11(15)8-12/h1-6,8,10,15H,7,9,14H2
InChIKeyOCOFBHZNGTYJTH-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.40
Rot. Bonds5

About 3-(2-amino-3-thiophen-2-ylpropoxy)phenol

3-(2-amino-3-thiophen-2-ylpropoxy)phenol (PubChem CID 117246145) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is 3-(2-amino-3-thiophen-2-ylpropoxy)phenol.

Molecular Properties

Compound Name3-(2-amino-3-thiophen-2-ylpropoxy)phenol
PubChem CID117246145
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC Name3-(2-amino-3-thiophen-2-ylpropoxy)phenol
SMILESNC(COc1cccc(O)c1)Cc1cccs1
InChIInChI=1S/C13H15NO2S/c14-10(7-13-5-2-6-17-13)9-16-12-4-1-3-11(15)8-12/h1-6,8,10,15H,7,9,14H2
InChIKeyOCOFBHZNGTYJTH-UHFFFAOYSA-N
XLogP2.40
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(thiophen-2-ylmethoxy)phenol
CID 43143563
1-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-2-amine
CID 117246169
(2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine
CID 94868216
1-propan-2-yloxy-3-thiophen-2-ylpropan-2-amine
CID 79574491
2-[(3-fluorophenoxy)methyl]-3-thiophen-2-ylpropan-1-ol
CID 117246264
ethane;(2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine;molecular hydrogen
CID 177035877
3-(2-hydroxypropoxy)phenol;2-methylpropane
CID 144531306
3-(2-fluoropropoxy)phenol
CID 84653742
3-[2-amino-2-(4-methylphenyl)ethoxy]phenol
CID 117244597
3-(2-amino-2-cyclobutylethoxy)phenol
CID 117245581
(1S)-1-[3-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 78933301
1-[3-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 43504299

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-3-thiophen-2-ylpropoxy)phenol?
The IUPAC name of 3-(2-amino-3-thiophen-2-ylpropoxy)phenol (CID 117246145) is 3-(2-amino-3-thiophen-2-ylpropoxy)phenol.
What is the SMILES notation for 3-(2-amino-3-thiophen-2-ylpropoxy)phenol?
The canonical SMILES for 3-(2-amino-3-thiophen-2-ylpropoxy)phenol is NC(COc1cccc(O)c1)Cc1cccs1.
What is the InChIKey of 3-(2-amino-3-thiophen-2-ylpropoxy)phenol?
The InChIKey is OCOFBHZNGTYJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c14-10(7-13-5-2-6-17-13)9-16-12-4-1-3-11(15)8-12/h1-6,8,10,15H,7,9,14H2.
What are the key properties of 3-(2-amino-3-thiophen-2-ylpropoxy)phenol?
3-(2-amino-3-thiophen-2-ylpropoxy)phenol has a molecular weight of 249.34 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-3-thiophen-2-ylpropoxy)phenol is sourced from PubChem (CID 117246145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).