3-methoxy-N-(2-thiophen-2-ylpropyl)butan-2-amine

C12H21NOS — CID 115722137

IUPAC3-methoxy-N-(2-thiophen-2-ylpropyl)butan-2-amine
SMILESCOC(C)C(C)NCC(C)c1cccs1
InChIInChI=1S/C12H21NOS/c1-9(12-6-5-7-15-12)8-13-10(2)11(3)14-4/h5-7,9-11,13H,8H2,1-4H3
InChIKeyIHTFJROMVRFALX-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.86
Rot. Bonds6

About 3-methoxy-N-(2-thiophen-2-ylpropyl)butan-2-amine

3-methoxy-N-(2-thiophen-2-ylpropyl)butan-2-amine (PubChem CID 115722137) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 3-methoxy-N-(2-thiophen-2-ylpropyl)butan-2-amine.

Molecular Properties

Compound Name3-methoxy-N-(2-thiophen-2-ylpropyl)butan-2-amine
PubChem CID115722137
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name3-methoxy-N-(2-thiophen-2-ylpropyl)butan-2-amine
SMILESCOC(C)C(C)NCC(C)c1cccs1
InChIInChI=1S/C12H21NOS/c1-9(12-6-5-7-15-12)8-13-10(2)11(3)14-4/h5-7,9-11,13H,8H2,1-4H3
InChIKeyIHTFJROMVRFALX-UHFFFAOYSA-N
XLogP2.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-thiophen-2-ylpropyl)butan-2-amine?
The IUPAC name of 3-methoxy-N-(2-thiophen-2-ylpropyl)butan-2-amine (CID 115722137) is 3-methoxy-N-(2-thiophen-2-ylpropyl)butan-2-amine.
What is the SMILES notation for 3-methoxy-N-(2-thiophen-2-ylpropyl)butan-2-amine?
The canonical SMILES for 3-methoxy-N-(2-thiophen-2-ylpropyl)butan-2-amine is COC(C)C(C)NCC(C)c1cccs1.
What is the InChIKey of 3-methoxy-N-(2-thiophen-2-ylpropyl)butan-2-amine?
The InChIKey is IHTFJROMVRFALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-9(12-6-5-7-15-12)8-13-10(2)11(3)14-4/h5-7,9-11,13H,8H2,1-4H3.
What are the key properties of 3-methoxy-N-(2-thiophen-2-ylpropyl)butan-2-amine?
3-methoxy-N-(2-thiophen-2-ylpropyl)butan-2-amine has a molecular weight of 227.37 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-thiophen-2-ylpropyl)butan-2-amine is sourced from PubChem (CID 115722137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).