2-[2-(aminomethyl)thiophen-3-yl]oxy-N,N-dimethylethanamine

C9H16N2OS — CID 39202898

IUPAC2-[2-(aminomethyl)thiophen-3-yl]oxy-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccsc1CN
InChIInChI=1S/C9H16N2OS/c1-11(2)4-5-12-8-3-6-13-9(8)7-10/h3,6H,4-5,7,10H2,1-2H3
InChIKeyRITWZOSBARXANP-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.15
Rot. Bonds5

About 2-[2-(aminomethyl)thiophen-3-yl]oxy-N,N-dimethylethanamine

2-[2-(aminomethyl)thiophen-3-yl]oxy-N,N-dimethylethanamine (PubChem CID 39202898) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 2-[2-(aminomethyl)thiophen-3-yl]oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-(aminomethyl)thiophen-3-yl]oxy-N,N-dimethylethanamine
PubChem CID39202898
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name2-[2-(aminomethyl)thiophen-3-yl]oxy-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccsc1CN
InChIInChI=1S/C9H16N2OS/c1-11(2)4-5-12-8-3-6-13-9(8)7-10/h3,6H,4-5,7,10H2,1-2H3
InChIKeyRITWZOSBARXANP-UHFFFAOYSA-N
XLogP1.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(aminomethyl)thiophen-3-yl]oxy-N,N-dimethylethanamine 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-[2-(aminomethyl)thiophen-3-yl]oxy-N,N-dimethylethanamine?
The IUPAC name of 2-[2-(aminomethyl)thiophen-3-yl]oxy-N,N-dimethylethanamine (CID 39202898) is 2-[2-(aminomethyl)thiophen-3-yl]oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-(aminomethyl)thiophen-3-yl]oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-(aminomethyl)thiophen-3-yl]oxy-N,N-dimethylethanamine is CN(C)CCOc1ccsc1CN.
What is the InChIKey of 2-[2-(aminomethyl)thiophen-3-yl]oxy-N,N-dimethylethanamine?
The InChIKey is RITWZOSBARXANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-11(2)4-5-12-8-3-6-13-9(8)7-10/h3,6H,4-5,7,10H2,1-2H3.
What are the key properties of 2-[2-(aminomethyl)thiophen-3-yl]oxy-N,N-dimethylethanamine?
2-[2-(aminomethyl)thiophen-3-yl]oxy-N,N-dimethylethanamine has a molecular weight of 200.31 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)thiophen-3-yl]oxy-N,N-dimethylethanamine is sourced from PubChem (CID 39202898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).