5-methoxy-2-[1-(2-thiophen-2-ylethylamino)ethyl]phenol

C15H19NO2S — CID 43201413

IUPAC5-methoxy-2-[1-(2-thiophen-2-ylethylamino)ethyl]phenol
SMILESCOc1ccc(C(C)NCCc2cccs2)c(O)c1
InChIInChI=1S/C15H19NO2S/c1-11(16-8-7-13-4-3-9-19-13)14-6-5-12(18-2)10-15(14)17/h3-6,9-11,16-17H,7-8H2,1-2H3
InChIKeyVGGJMIIACSCDMA-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.36
Rot. Bonds6

About 5-methoxy-2-[1-(2-thiophen-2-ylethylamino)ethyl]phenol

5-methoxy-2-[1-(2-thiophen-2-ylethylamino)ethyl]phenol (PubChem CID 43201413) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 5-methoxy-2-[1-(2-thiophen-2-ylethylamino)ethyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[1-(2-thiophen-2-ylethylamino)ethyl]phenol
PubChem CID43201413
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name5-methoxy-2-[1-(2-thiophen-2-ylethylamino)ethyl]phenol
SMILESCOc1ccc(C(C)NCCc2cccs2)c(O)c1
InChIInChI=1S/C15H19NO2S/c1-11(16-8-7-13-4-3-9-19-13)14-6-5-12(18-2)10-15(14)17/h3-6,9-11,16-17H,7-8H2,1-2H3
InChIKeyVGGJMIIACSCDMA-UHFFFAOYSA-N
XLogP3.36
TPSA41.49 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 ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-2-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]phenol
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CID 107303120
2-[1-(4-aminobutylamino)ethyl]-5-methoxyphenol
CID 60893810
2-[1-(2-thiophen-2-ylethylamino)ethyl]naphthalen-1-ol
CID 43195167
2-[1-[[(2S)-2-hydroxypropyl]amino]ethyl]-5-methoxyphenol
CID 104583670
5-methoxy-2-[1-[2-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenol
CID 80682269
2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-methoxyphenol
CID 104582210
5-methoxy-2-[1-[(4-methoxyphenyl)methylamino]ethyl]phenol
CID 43201039

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[1-(2-thiophen-2-ylethylamino)ethyl]phenol?
The IUPAC name of 5-methoxy-2-[1-(2-thiophen-2-ylethylamino)ethyl]phenol (CID 43201413) is 5-methoxy-2-[1-(2-thiophen-2-ylethylamino)ethyl]phenol.
What is the SMILES notation for 5-methoxy-2-[1-(2-thiophen-2-ylethylamino)ethyl]phenol?
The canonical SMILES for 5-methoxy-2-[1-(2-thiophen-2-ylethylamino)ethyl]phenol is COc1ccc(C(C)NCCc2cccs2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[1-(2-thiophen-2-ylethylamino)ethyl]phenol?
The InChIKey is VGGJMIIACSCDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-11(16-8-7-13-4-3-9-19-13)14-6-5-12(18-2)10-15(14)17/h3-6,9-11,16-17H,7-8H2,1-2H3.
What are the key properties of 5-methoxy-2-[1-(2-thiophen-2-ylethylamino)ethyl]phenol?
5-methoxy-2-[1-(2-thiophen-2-ylethylamino)ethyl]phenol has a molecular weight of 277.39 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[1-(2-thiophen-2-ylethylamino)ethyl]phenol is sourced from PubChem (CID 43201413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).