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

C10H17NOS — CID 65099632

IUPAC1-methoxy-2-(5-methylthiophen-3-yl)butan-2-amine
SMILESCCC(N)(COC)c1csc(C)c1
InChIInChI=1S/C10H17NOS/c1-4-10(11,7-12-3)9-5-8(2)13-6-9/h5-6H,4,7,11H2,1-3H3
InChIKeyXCDCKBQYBNYWDG-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.27
Rot. Bonds4

About 1-methoxy-2-(5-methylthiophen-3-yl)butan-2-amine

1-methoxy-2-(5-methylthiophen-3-yl)butan-2-amine (PubChem CID 65099632) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 1-methoxy-2-(5-methylthiophen-3-yl)butan-2-amine.

Molecular Properties

Compound Name1-methoxy-2-(5-methylthiophen-3-yl)butan-2-amine
PubChem CID65099632
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name1-methoxy-2-(5-methylthiophen-3-yl)butan-2-amine
SMILESCCC(N)(COC)c1csc(C)c1
InChIInChI=1S/C10H17NOS/c1-4-10(11,7-12-3)9-5-8(2)13-6-9/h5-6H,4,7,11H2,1-3H3
InChIKeyXCDCKBQYBNYWDG-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 1-methoxy-2-(5-methylthiophen-3-yl)butan-2-amine?
The IUPAC name of 1-methoxy-2-(5-methylthiophen-3-yl)butan-2-amine (CID 65099632) is 1-methoxy-2-(5-methylthiophen-3-yl)butan-2-amine.
What is the SMILES notation for 1-methoxy-2-(5-methylthiophen-3-yl)butan-2-amine?
The canonical SMILES for 1-methoxy-2-(5-methylthiophen-3-yl)butan-2-amine is CCC(N)(COC)c1csc(C)c1.
What is the InChIKey of 1-methoxy-2-(5-methylthiophen-3-yl)butan-2-amine?
The InChIKey is XCDCKBQYBNYWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-4-10(11,7-12-3)9-5-8(2)13-6-9/h5-6H,4,7,11H2,1-3H3.
What are the key properties of 1-methoxy-2-(5-methylthiophen-3-yl)butan-2-amine?
1-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 1-methoxy-2-(5-methylthiophen-3-yl)butan-2-amine is sourced from PubChem (CID 65099632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).