5-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methoxyphenol

C15H19NO2S — CID 43743593

IUPAC5-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methoxyphenol
SMILESCOc1ccc(NC(C)c2cc(C)sc2C)cc1O
InChIInChI=1S/C15H19NO2S/c1-9-7-13(11(3)19-9)10(2)16-12-5-6-15(18-4)14(17)8-12/h5-8,10,16-17H,1-4H3
InChIKeyXEVYFIOARSSSGF-UHFFFAOYSA-N
MW277.39 g/mol
LogP4.25
Rot. Bonds4

About 5-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methoxyphenol

5-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methoxyphenol (PubChem CID 43743593) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 5-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methoxyphenol.

Molecular Properties

Compound Name5-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methoxyphenol
PubChem CID43743593
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name5-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methoxyphenol
SMILESCOc1ccc(NC(C)c2cc(C)sc2C)cc1O
InChIInChI=1S/C15H19NO2S/c1-9-7-13(11(3)19-9)10(2)16-12-5-6-15(18-4)14(17)8-12/h5-8,10,16-17H,1-4H3
InChIKeyXEVYFIOARSSSGF-UHFFFAOYSA-N
XLogP4.25
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 54.25
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

3-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methoxyaniline
CID 43103753
2-methoxy-5-(3-methylbutan-2-ylamino)phenol
CID 43743784
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoroaniline
CID 43106448
4-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylaniline
CID 43104796
2-methoxy-5-(1-thiophen-3-ylethylamino)phenol
CID 62090337
4-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-fluoroaniline
CID 43721303
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-benzothiazol-6-amine
CID 107803954
2-methoxy-5-[1-(4-methylsulfanylphenyl)ethylamino]phenol
CID 43743729
2-[1-[1-(2,5-dimethylthiophen-3-yl)ethylamino]ethyl]-4-methoxyphenol
CID 43737447
2-bromo-4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]benzoic acid
CID 107281803
2-chloro-4-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 63451348
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,2-dimethyl-1,3-benzodioxol-5-amine
CID 43676207

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methoxyphenol?
The IUPAC name of 5-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methoxyphenol (CID 43743593) is 5-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methoxyphenol.
What is the SMILES notation for 5-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methoxyphenol?
The canonical SMILES for 5-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methoxyphenol is COc1ccc(NC(C)c2cc(C)sc2C)cc1O.
What is the InChIKey of 5-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methoxyphenol?
The InChIKey is XEVYFIOARSSSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-9-7-13(11(3)19-9)10(2)16-12-5-6-15(18-4)14(17)8-12/h5-8,10,16-17H,1-4H3.
What are the key properties of 5-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methoxyphenol?
5-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methoxyphenol has a molecular weight of 277.39 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methoxyphenol is sourced from PubChem (CID 43743593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).