2-[ethyl-[(3-methylthiophen-2-yl)methyl]amino]ethanol

C10H17NOS — CID 115879710

IUPAC2-[ethyl-[(3-methylthiophen-2-yl)methyl]amino]ethanol
SMILESCCN(CCO)Cc1sccc1C
InChIInChI=1S/C10H17NOS/c1-3-11(5-6-12)8-10-9(2)4-7-13-10/h4,7,12H,3,5-6,8H2,1-2H3
InChIKeyCIQNNIBLUYTILB-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.87
Rot. Bonds5

About 2-[ethyl-[(3-methylthiophen-2-yl)methyl]amino]ethanol

2-[ethyl-[(3-methylthiophen-2-yl)methyl]amino]ethanol (PubChem CID 115879710) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 2-[ethyl-[(3-methylthiophen-2-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-[(3-methylthiophen-2-yl)methyl]amino]ethanol
PubChem CID115879710
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name2-[ethyl-[(3-methylthiophen-2-yl)methyl]amino]ethanol
SMILESCCN(CCO)Cc1sccc1C
InChIInChI=1S/C10H17NOS/c1-3-11(5-6-12)8-10-9(2)4-7-13-10/h4,7,12H,3,5-6,8H2,1-2H3
InChIKeyCIQNNIBLUYTILB-UHFFFAOYSA-N
XLogP1.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[ethyl-[(3-methylthiophen-2-yl)methyl]amino]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(3-methylthiophen-2-yl)methyl]amino]ethanol?
The IUPAC name of 2-[ethyl-[(3-methylthiophen-2-yl)methyl]amino]ethanol (CID 115879710) is 2-[ethyl-[(3-methylthiophen-2-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[ethyl-[(3-methylthiophen-2-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[ethyl-[(3-methylthiophen-2-yl)methyl]amino]ethanol is CCN(CCO)Cc1sccc1C.
What is the InChIKey of 2-[ethyl-[(3-methylthiophen-2-yl)methyl]amino]ethanol?
The InChIKey is CIQNNIBLUYTILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-3-11(5-6-12)8-10-9(2)4-7-13-10/h4,7,12H,3,5-6,8H2,1-2H3.
What are the key properties of 2-[ethyl-[(3-methylthiophen-2-yl)methyl]amino]ethanol?
2-[ethyl-[(3-methylthiophen-2-yl)methyl]amino]ethanol has a molecular weight of 199.32 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(3-methylthiophen-2-yl)methyl]amino]ethanol is sourced from PubChem (CID 115879710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).