4-(thiophen-2-ylmethylamino)phenol

C11H11NOS — CID 769669

IUPAC4-(thiophen-2-ylmethylamino)phenol
SMILESOc1ccc(NCc2cccs2)cc1
InChIInChI=1S/C11H11NOS/c13-10-5-3-9(4-6-10)12-8-11-2-1-7-14-11/h1-7,12-13H,8H2
InChIKeyRCGVPMFFTDNWMF-UHFFFAOYSA-N
MW205.28 g/mol
LogP3.07
Rot. Bonds3

About 4-(thiophen-2-ylmethylamino)phenol

4-(thiophen-2-ylmethylamino)phenol (PubChem CID 769669) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 4-(thiophen-2-ylmethylamino)phenol.

Molecular Properties

Compound Name4-(thiophen-2-ylmethylamino)phenol
PubChem CID769669
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name4-(thiophen-2-ylmethylamino)phenol
SMILESOc1ccc(NCc2cccs2)cc1
InChIInChI=1S/C11H11NOS/c13-10-5-3-9(4-6-10)12-8-11-2-1-7-14-11/h1-7,12-13H,8H2
InChIKeyRCGVPMFFTDNWMF-UHFFFAOYSA-N
XLogP3.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(thiophen-2-ylmethylamino)phenol?
The IUPAC name of 4-(thiophen-2-ylmethylamino)phenol (CID 769669) is 4-(thiophen-2-ylmethylamino)phenol.
What is the SMILES notation for 4-(thiophen-2-ylmethylamino)phenol?
The canonical SMILES for 4-(thiophen-2-ylmethylamino)phenol is Oc1ccc(NCc2cccs2)cc1.
What is the InChIKey of 4-(thiophen-2-ylmethylamino)phenol?
The InChIKey is RCGVPMFFTDNWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c13-10-5-3-9(4-6-10)12-8-11-2-1-7-14-11/h1-7,12-13H,8H2.
What are the key properties of 4-(thiophen-2-ylmethylamino)phenol?
4-(thiophen-2-ylmethylamino)phenol has a molecular weight of 205.28 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiophen-2-ylmethylamino)phenol is sourced from PubChem (CID 769669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).