4-methoxy-2-(5-methylthiophen-3-yl)butan-2-amine

C10H17NOS — CID 65100154

IUPAC4-methoxy-2-(5-methylthiophen-3-yl)butan-2-amine
SMILESCOCCC(C)(N)c1csc(C)c1
InChIInChI=1S/C10H17NOS/c1-8-6-9(7-13-8)10(2,11)4-5-12-3/h6-7H,4-5,11H2,1-3H3
InChIKeyDCFBLHPOSXBZHP-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.27
Rot. Bonds4

About 4-methoxy-2-(5-methylthiophen-3-yl)butan-2-amine

4-methoxy-2-(5-methylthiophen-3-yl)butan-2-amine (PubChem CID 65100154) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 4-methoxy-2-(5-methylthiophen-3-yl)butan-2-amine.

Molecular Properties

Compound Name4-methoxy-2-(5-methylthiophen-3-yl)butan-2-amine
PubChem CID65100154
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name4-methoxy-2-(5-methylthiophen-3-yl)butan-2-amine
SMILESCOCCC(C)(N)c1csc(C)c1
InChIInChI=1S/C10H17NOS/c1-8-6-9(7-13-8)10(2,11)4-5-12-3/h6-7H,4-5,11H2,1-3H3
InChIKeyDCFBLHPOSXBZHP-UHFFFAOYSA-N
XLogP2.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(5-methylthiophen-3-yl)butan-2-amine?
The IUPAC name of 4-methoxy-2-(5-methylthiophen-3-yl)butan-2-amine (CID 65100154) is 4-methoxy-2-(5-methylthiophen-3-yl)butan-2-amine.
What is the SMILES notation for 4-methoxy-2-(5-methylthiophen-3-yl)butan-2-amine?
The canonical SMILES for 4-methoxy-2-(5-methylthiophen-3-yl)butan-2-amine is COCCC(C)(N)c1csc(C)c1.
What is the InChIKey of 4-methoxy-2-(5-methylthiophen-3-yl)butan-2-amine?
The InChIKey is DCFBLHPOSXBZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-8-6-9(7-13-8)10(2,11)4-5-12-3/h6-7H,4-5,11H2,1-3H3.
What are the key properties of 4-methoxy-2-(5-methylthiophen-3-yl)butan-2-amine?
4-methoxy-2-(5-methylthiophen-3-yl)butan-2-amine has a molecular weight of 199.32 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(5-methylthiophen-3-yl)butan-2-amine is sourced from PubChem (CID 65100154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).