4-methoxy-2-methyl-1-thiophen-2-ylbutan-2-amine

C10H17NOS — CID 62621106

IUPAC4-methoxy-2-methyl-1-thiophen-2-ylbutan-2-amine
SMILESCOCCC(C)(N)Cc1cccs1
InChIInChI=1S/C10H17NOS/c1-10(11,5-6-12-2)8-9-4-3-7-13-9/h3-4,7H,5-6,8,11H2,1-2H3
InChIKeySNRBXGLBVSZELK-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.04
Rot. Bonds5

About 4-methoxy-2-methyl-1-thiophen-2-ylbutan-2-amine

4-methoxy-2-methyl-1-thiophen-2-ylbutan-2-amine (PubChem CID 62621106) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound Name4-methoxy-2-methyl-1-thiophen-2-ylbutan-2-amine
PubChem CID62621106
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name4-methoxy-2-methyl-1-thiophen-2-ylbutan-2-amine
SMILESCOCCC(C)(N)Cc1cccs1
InChIInChI=1S/C10H17NOS/c1-10(11,5-6-12-2)8-9-4-3-7-13-9/h3-4,7H,5-6,8,11H2,1-2H3
InChIKeySNRBXGLBVSZELK-UHFFFAOYSA-N
XLogP2.04
TPSA35.25 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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-2-methyl-1-thiophen-2-ylbutan-2-amine 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 4-methoxy-2-methyl-1-thiophen-2-ylbutan-2-amine?
The IUPAC name of 4-methoxy-2-methyl-1-thiophen-2-ylbutan-2-amine (CID 62621106) is 4-methoxy-2-methyl-1-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for 4-methoxy-2-methyl-1-thiophen-2-ylbutan-2-amine?
The canonical SMILES for 4-methoxy-2-methyl-1-thiophen-2-ylbutan-2-amine is COCCC(C)(N)Cc1cccs1.
What is the InChIKey of 4-methoxy-2-methyl-1-thiophen-2-ylbutan-2-amine?
The InChIKey is SNRBXGLBVSZELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-10(11,5-6-12-2)8-9-4-3-7-13-9/h3-4,7H,5-6,8,11H2,1-2H3.
What are the key properties of 4-methoxy-2-methyl-1-thiophen-2-ylbutan-2-amine?
4-methoxy-2-methyl-1-thiophen-2-ylbutan-2-amine has a molecular weight of 199.32 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-1-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 62621106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).