2-(5-chlorothiophen-2-yl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine

C13H20ClNOS — CID 80683984

IUPAC2-(5-chlorothiophen-2-yl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine
SMILESCNC(Cc1ccc(Cl)s1)C1(C)CCCCO1
InChIInChI=1S/C13H20ClNOS/c1-13(7-3-4-8-16-13)11(15-2)9-10-5-6-12(14)17-10/h5-6,11,15H,3-4,7-9H2,1-2H3
InChIKeyRRIOBFYOVMVQDV-UHFFFAOYSA-N
MW273.83 g/mol
LogP3.49
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine

2-(5-chlorothiophen-2-yl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine (PubChem CID 80683984) has the molecular formula C13H20ClNOS and a molecular weight of 273.83 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine
PubChem CID80683984
Molecular FormulaC13H20ClNOS
Molecular Weight273.83 g/mol
Exact Mass273.10
IUPAC Name2-(5-chlorothiophen-2-yl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine
SMILESCNC(Cc1ccc(Cl)s1)C1(C)CCCCO1
InChIInChI=1S/C13H20ClNOS/c1-13(7-3-4-8-16-13)11(15-2)9-10-5-6-12(14)17-10/h5-6,11,15H,3-4,7-9H2,1-2H3
InChIKeyRRIOBFYOVMVQDV-UHFFFAOYSA-N
XLogP3.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.83
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-chlorothiophen-2-yl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine 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-(5-chlorothiophen-2-yl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine (CID 80683984) is 2-(5-chlorothiophen-2-yl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine is CNC(Cc1ccc(Cl)s1)C1(C)CCCCO1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine?
The InChIKey is RRIOBFYOVMVQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNOS/c1-13(7-3-4-8-16-13)11(15-2)9-10-5-6-12(14)17-10/h5-6,11,15H,3-4,7-9H2,1-2H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine?
2-(5-chlorothiophen-2-yl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine has a molecular weight of 273.83 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine is sourced from PubChem (CID 80683984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).