2-methoxy-5-(1-thiophen-3-ylethylamino)phenol

C13H15NO2S — CID 62090337

IUPAC2-methoxy-5-(1-thiophen-3-ylethylamino)phenol
SMILESCOc1ccc(NC(C)c2ccsc2)cc1O
InChIInChI=1S/C13H15NO2S/c1-9(10-5-6-17-8-10)14-11-3-4-13(16-2)12(15)7-11/h3-9,14-15H,1-2H3
InChIKeyUCCJGHXTPFSARB-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.64
Rot. Bonds4

About 2-methoxy-5-(1-thiophen-3-ylethylamino)phenol

2-methoxy-5-(1-thiophen-3-ylethylamino)phenol (PubChem CID 62090337) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-methoxy-5-(1-thiophen-3-ylethylamino)phenol.

Molecular Properties

Compound Name2-methoxy-5-(1-thiophen-3-ylethylamino)phenol
PubChem CID62090337
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC Name2-methoxy-5-(1-thiophen-3-ylethylamino)phenol
SMILESCOc1ccc(NC(C)c2ccsc2)cc1O
InChIInChI=1S/C13H15NO2S/c1-9(10-5-6-17-8-10)14-11-3-4-13(16-2)12(15)7-11/h3-9,14-15H,1-2H3
InChIKeyUCCJGHXTPFSARB-UHFFFAOYSA-N
XLogP3.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-5-[1-(4-methylsulfanylphenyl)ethylamino]phenol
CID 43743729
2-methoxy-5-[1-(4-propylphenyl)ethylamino]phenol
CID 43743777
2-methoxy-5-(3-methylbutan-2-ylamino)phenol
CID 43743784
5-[1-(3-chloro-4-fluorophenyl)ethylamino]-2-methoxyphenol
CID 43743616
5-[(S)-amino(thiophen-3-yl)methyl]-2-methoxyphenol;hydrochloride
CID 171199311
N-(1-thiophen-3-ylethyl)pyrimidin-5-amine
CID 107588181
5-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methoxyphenol
CID 43743593
N-[1-(3,4,5-trimethoxyphenyl)ethyl]thiophen-3-amine
CID 66351198
4-chloro-N-(1-thiophen-3-ylethyl)aniline
CID 62091709
N-(1-thiophen-3-ylethyl)aniline
CID 62090283
3-N-(1-thiophen-3-ylethyl)benzene-1,3-diamine
CID 62841671
5-methoxy-2-methyl-N-(1-thiophen-3-ylethyl)pyridin-4-amine
CID 106660484

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(1-thiophen-3-ylethylamino)phenol?
The IUPAC name of 2-methoxy-5-(1-thiophen-3-ylethylamino)phenol (CID 62090337) is 2-methoxy-5-(1-thiophen-3-ylethylamino)phenol.
What is the SMILES notation for 2-methoxy-5-(1-thiophen-3-ylethylamino)phenol?
The canonical SMILES for 2-methoxy-5-(1-thiophen-3-ylethylamino)phenol is COc1ccc(NC(C)c2ccsc2)cc1O.
What is the InChIKey of 2-methoxy-5-(1-thiophen-3-ylethylamino)phenol?
The InChIKey is UCCJGHXTPFSARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-9(10-5-6-17-8-10)14-11-3-4-13(16-2)12(15)7-11/h3-9,14-15H,1-2H3.
What are the key properties of 2-methoxy-5-(1-thiophen-3-ylethylamino)phenol?
2-methoxy-5-(1-thiophen-3-ylethylamino)phenol has a molecular weight of 249.34 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(1-thiophen-3-ylethylamino)phenol is sourced from PubChem (CID 62090337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).