3-methoxy-N-methyl-1-thiophen-3-ylpropan-1-amine

C9H15NOS — CID 62601114

IUPAC3-methoxy-N-methyl-1-thiophen-3-ylpropan-1-amine
SMILESCNC(CCOC)c1ccsc1
InChIInChI=1S/C9H15NOS/c1-10-9(3-5-11-2)8-4-6-12-7-8/h4,6-7,9-10H,3,5H2,1-2H3
InChIKeyGLSAEZVZRJPZAG-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.05
Rot. Bonds5

About 3-methoxy-N-methyl-1-thiophen-3-ylpropan-1-amine

3-methoxy-N-methyl-1-thiophen-3-ylpropan-1-amine (PubChem CID 62601114) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 3-methoxy-N-methyl-1-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-methyl-1-thiophen-3-ylpropan-1-amine
PubChem CID62601114
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name3-methoxy-N-methyl-1-thiophen-3-ylpropan-1-amine
SMILESCNC(CCOC)c1ccsc1
InChIInChI=1S/C9H15NOS/c1-10-9(3-5-11-2)8-4-6-12-7-8/h4,6-7,9-10H,3,5H2,1-2H3
InChIKeyGLSAEZVZRJPZAG-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-1-thiophen-3-ylpropan-1-amine?
The IUPAC name of 3-methoxy-N-methyl-1-thiophen-3-ylpropan-1-amine (CID 62601114) is 3-methoxy-N-methyl-1-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 3-methoxy-N-methyl-1-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 3-methoxy-N-methyl-1-thiophen-3-ylpropan-1-amine is CNC(CCOC)c1ccsc1.
What is the InChIKey of 3-methoxy-N-methyl-1-thiophen-3-ylpropan-1-amine?
The InChIKey is GLSAEZVZRJPZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-10-9(3-5-11-2)8-4-6-12-7-8/h4,6-7,9-10H,3,5H2,1-2H3.
What are the key properties of 3-methoxy-N-methyl-1-thiophen-3-ylpropan-1-amine?
3-methoxy-N-methyl-1-thiophen-3-ylpropan-1-amine has a molecular weight of 185.29 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-1-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 62601114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).