2-[2-(2-methylprop-2-enoxy)ethylamino]-1-thiophen-2-ylethanol

C12H19NO2S — CID 114467683

IUPAC2-[2-(2-methylprop-2-enoxy)ethylamino]-1-thiophen-2-ylethanol
SMILESC=C(C)COCCNCC(O)c1cccs1
InChIInChI=1S/C12H19NO2S/c1-10(2)9-15-6-5-13-8-11(14)12-4-3-7-16-12/h3-4,7,11,13-14H,1,5-6,8-9H2,2H3
InChIKeyZPAYEJFBRWTVBH-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.96
Rot. Bonds8

About 2-[2-(2-methylprop-2-enoxy)ethylamino]-1-thiophen-2-ylethanol

2-[2-(2-methylprop-2-enoxy)ethylamino]-1-thiophen-2-ylethanol (PubChem CID 114467683) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-[2-(2-methylprop-2-enoxy)ethylamino]-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-[2-(2-methylprop-2-enoxy)ethylamino]-1-thiophen-2-ylethanol
PubChem CID114467683
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name2-[2-(2-methylprop-2-enoxy)ethylamino]-1-thiophen-2-ylethanol
SMILESC=C(C)COCCNCC(O)c1cccs1
InChIInChI=1S/C12H19NO2S/c1-10(2)9-15-6-5-13-8-11(14)12-4-3-7-16-12/h3-4,7,11,13-14H,1,5-6,8-9H2,2H3
InChIKeyZPAYEJFBRWTVBH-UHFFFAOYSA-N
XLogP1.96
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(2-methylprop-2-enoxy)ethylamino]-1-thiophen-2-ylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-2-(propylamino)-1-thiophen-2-ylethanol
CID 39237770
2-[2-(2-methylprop-2-enoxy)ethylamino]-1-naphthalen-2-ylethanol
CID 114467654
2-(3,3-dimethylbutylamino)-1-thiophen-2-ylethanol
CID 115581040
2-[2-(3-methylphenoxy)ethylamino]-1-thiophen-2-ylethanol
CID 55012484
2-(2-cyclohexyloxyethylamino)-1-thiophen-2-ylethanol
CID 63827685
2-(methylamino)-1-thiophen-2-ylethanol
CID 22498745
2-(2-ethylbutylamino)-1-thiophen-2-ylethanol
CID 115756931
2-[(2-methylpropan-2-yl)oxyamino]-1-thiophen-2-ylethanol
CID 82724870
N-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide
CID 60909200
2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-N-(2-methoxyethyl)acetamide
CID 113405123
3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,2-diol
CID 66175713
2-[(4-ethylphenyl)methylamino]-1-thiophen-2-ylethanol
CID 113239709

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylprop-2-enoxy)ethylamino]-1-thiophen-2-ylethanol?
The IUPAC name of 2-[2-(2-methylprop-2-enoxy)ethylamino]-1-thiophen-2-ylethanol (CID 114467683) is 2-[2-(2-methylprop-2-enoxy)ethylamino]-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-[2-(2-methylprop-2-enoxy)ethylamino]-1-thiophen-2-ylethanol?
The canonical SMILES for 2-[2-(2-methylprop-2-enoxy)ethylamino]-1-thiophen-2-ylethanol is C=C(C)COCCNCC(O)c1cccs1.
What is the InChIKey of 2-[2-(2-methylprop-2-enoxy)ethylamino]-1-thiophen-2-ylethanol?
The InChIKey is ZPAYEJFBRWTVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-10(2)9-15-6-5-13-8-11(14)12-4-3-7-16-12/h3-4,7,11,13-14H,1,5-6,8-9H2,2H3.
What are the key properties of 2-[2-(2-methylprop-2-enoxy)ethylamino]-1-thiophen-2-ylethanol?
2-[2-(2-methylprop-2-enoxy)ethylamino]-1-thiophen-2-ylethanol has a molecular weight of 241.36 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylprop-2-enoxy)ethylamino]-1-thiophen-2-ylethanol is sourced from PubChem (CID 114467683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).