2-(hydroxymethyl)-4-(2-thiophen-2-ylethylamino)phenol

C13H15NO2S — CID 83962574

IUPAC2-(hydroxymethyl)-4-(2-thiophen-2-ylethylamino)phenol
SMILESOCc1cc(NCCc2cccs2)ccc1O
InChIInChI=1S/C13H15NO2S/c15-9-10-8-11(3-4-13(10)16)14-6-5-12-2-1-7-17-12/h1-4,7-8,14-16H,5-6,9H2
InChIKeyNHHSDTSVVRUKAS-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.60
Rot. Bonds5

About 2-(hydroxymethyl)-4-(2-thiophen-2-ylethylamino)phenol

2-(hydroxymethyl)-4-(2-thiophen-2-ylethylamino)phenol (PubChem CID 83962574) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-(2-thiophen-2-ylethylamino)phenol.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-(2-thiophen-2-ylethylamino)phenol
PubChem CID83962574
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC Name2-(hydroxymethyl)-4-(2-thiophen-2-ylethylamino)phenol
SMILESOCc1cc(NCCc2cccs2)ccc1O
InChIInChI=1S/C13H15NO2S/c15-9-10-8-11(3-4-13(10)16)14-6-5-12-2-1-7-17-12/h1-4,7-8,14-16H,5-6,9H2
InChIKeyNHHSDTSVVRUKAS-UHFFFAOYSA-N
XLogP2.60
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline
CID 63773614
4-ethyl-3-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 114250199
3-bromo-4-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 63775490
4-iodo-N-(2-thiophen-2-ylethyl)aniline
CID 63775663
2-(hydroxymethyl)-4-(5-hydroxypentylamino)phenol
CID 112722156
3,5-dimethyl-N-(2-thiophen-2-ylethyl)aniline
CID 63774162
4-methoxy-3-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 55237863
1-[3-(2-thiophen-2-ylethylamino)phenyl]ethanol
CID 83962994
4-nitro-N-(2-thiophen-2-ylethyl)aniline
CID 23104820
3-propan-2-yloxy-N-(2-thiophen-2-ylethyl)aniline
CID 83961408
5-fluoro-2-hydroxy-N-(2-thiophen-2-ylethyl)benzamide
CID 79531846
methyl 2-nitro-5-(2-thiophen-2-ylethylamino)benzoate
CID 36523126

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-(2-thiophen-2-ylethylamino)phenol?
The IUPAC name of 2-(hydroxymethyl)-4-(2-thiophen-2-ylethylamino)phenol (CID 83962574) is 2-(hydroxymethyl)-4-(2-thiophen-2-ylethylamino)phenol.
What is the SMILES notation for 2-(hydroxymethyl)-4-(2-thiophen-2-ylethylamino)phenol?
The canonical SMILES for 2-(hydroxymethyl)-4-(2-thiophen-2-ylethylamino)phenol is OCc1cc(NCCc2cccs2)ccc1O.
What is the InChIKey of 2-(hydroxymethyl)-4-(2-thiophen-2-ylethylamino)phenol?
The InChIKey is NHHSDTSVVRUKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c15-9-10-8-11(3-4-13(10)16)14-6-5-12-2-1-7-17-12/h1-4,7-8,14-16H,5-6,9H2.
What are the key properties of 2-(hydroxymethyl)-4-(2-thiophen-2-ylethylamino)phenol?
2-(hydroxymethyl)-4-(2-thiophen-2-ylethylamino)phenol has a molecular weight of 249.34 g/mol, XLogP of 2.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-(2-thiophen-2-ylethylamino)phenol is sourced from PubChem (CID 83962574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).