2-[4-(2-amino-1-thiophen-3-ylpropoxy)phenyl]ethanol

C15H19NO2S — CID 107708523

IUPAC2-[4-(2-amino-1-thiophen-3-ylpropoxy)phenyl]ethanol
SMILESCC(N)C(Oc1ccc(CCO)cc1)c1ccsc1
InChIInChI=1S/C15H19NO2S/c1-11(16)15(13-7-9-19-10-13)18-14-4-2-12(3-5-14)6-8-17/h2-5,7,9-11,15,17H,6,8,16H2,1H3
InChIKeyIULACJVJVLJUGB-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.75
Rot. Bonds6

About 2-[4-(2-amino-1-thiophen-3-ylpropoxy)phenyl]ethanol

2-[4-(2-amino-1-thiophen-3-ylpropoxy)phenyl]ethanol (PubChem CID 107708523) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-[4-(2-amino-1-thiophen-3-ylpropoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-[4-(2-amino-1-thiophen-3-ylpropoxy)phenyl]ethanol
PubChem CID107708523
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name2-[4-(2-amino-1-thiophen-3-ylpropoxy)phenyl]ethanol
SMILESCC(N)C(Oc1ccc(CCO)cc1)c1ccsc1
InChIInChI=1S/C15H19NO2S/c1-11(16)15(13-7-9-19-10-13)18-14-4-2-12(3-5-14)6-8-17/h2-5,7,9-11,15,17H,6,8,16H2,1H3
InChIKeyIULACJVJVLJUGB-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-amino-1-(5-methylfuran-2-yl)propoxy]phenyl]ethanol
CID 107708617
1-(4-chloro-3-fluorophenoxy)-1-thiophen-3-ylpropan-2-amine
CID 82716776
1-(1-ethoxypropan-2-yloxy)-1-thiophen-3-ylpropan-2-amine
CID 103486697
[4-(2-amino-1-thiophen-2-ylpropoxy)phenyl]methanol
CID 55021050
methyl (2R)-2-[4-(2-hydroxyethyl)phenoxy]propanoate
CID 107708333
1-(2,5-dibromo-4-methoxyphenoxy)-1-thiophen-3-ylpropan-2-amine
CID 79415248
2-[4-(difluoromethoxy)phenyl]ethanol;ethane
CID 142357995
3-[4-(2-hydroxyethyl)phenoxy]butan-2-one
CID 107709225
2-[(4-propan-2-yloxyphenyl)methylamino]-1-thiophen-3-ylethanol
CID 103685321
(R)-[4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanamine
CID 171225773
(3R)-3-amino-3-thiophen-3-ylpropan-1-ol
CID 1487793
(S)-(4-ethylphenyl)-thiophen-3-ylmethanamine
CID 171211233

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-1-thiophen-3-ylpropoxy)phenyl]ethanol?
The IUPAC name of 2-[4-(2-amino-1-thiophen-3-ylpropoxy)phenyl]ethanol (CID 107708523) is 2-[4-(2-amino-1-thiophen-3-ylpropoxy)phenyl]ethanol.
What is the SMILES notation for 2-[4-(2-amino-1-thiophen-3-ylpropoxy)phenyl]ethanol?
The canonical SMILES for 2-[4-(2-amino-1-thiophen-3-ylpropoxy)phenyl]ethanol is CC(N)C(Oc1ccc(CCO)cc1)c1ccsc1.
What is the InChIKey of 2-[4-(2-amino-1-thiophen-3-ylpropoxy)phenyl]ethanol?
The InChIKey is IULACJVJVLJUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-11(16)15(13-7-9-19-10-13)18-14-4-2-12(3-5-14)6-8-17/h2-5,7,9-11,15,17H,6,8,16H2,1H3.
What are the key properties of 2-[4-(2-amino-1-thiophen-3-ylpropoxy)phenyl]ethanol?
2-[4-(2-amino-1-thiophen-3-ylpropoxy)phenyl]ethanol has a molecular weight of 277.39 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-1-thiophen-3-ylpropoxy)phenyl]ethanol is sourced from PubChem (CID 107708523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).