1-methoxy-3-methyl-N-(2-thiophen-2-ylethyl)butan-2-amine

C12H21NOS — CID 65049089

IUPAC1-methoxy-3-methyl-N-(2-thiophen-2-ylethyl)butan-2-amine
SMILESCOCC(NCCc1cccs1)C(C)C
InChIInChI=1S/C12H21NOS/c1-10(2)12(9-14-3)13-7-6-11-5-4-8-15-11/h4-5,8,10,12-13H,6-7,9H2,1-3H3
InChIKeyXZQWHMQCZWYERA-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.55
Rot. Bonds7

About 1-methoxy-3-methyl-N-(2-thiophen-2-ylethyl)butan-2-amine

1-methoxy-3-methyl-N-(2-thiophen-2-ylethyl)butan-2-amine (PubChem CID 65049089) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 1-methoxy-3-methyl-N-(2-thiophen-2-ylethyl)butan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-methyl-N-(2-thiophen-2-ylethyl)butan-2-amine
PubChem CID65049089
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name1-methoxy-3-methyl-N-(2-thiophen-2-ylethyl)butan-2-amine
SMILESCOCC(NCCc1cccs1)C(C)C
InChIInChI=1S/C12H21NOS/c1-10(2)12(9-14-3)13-7-6-11-5-4-8-15-11/h4-5,8,10,12-13H,6-7,9H2,1-3H3
InChIKeyXZQWHMQCZWYERA-UHFFFAOYSA-N
XLogP2.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methyl-N-(2-thiophen-2-ylethyl)butan-2-amine?
The IUPAC name of 1-methoxy-3-methyl-N-(2-thiophen-2-ylethyl)butan-2-amine (CID 65049089) is 1-methoxy-3-methyl-N-(2-thiophen-2-ylethyl)butan-2-amine.
What is the SMILES notation for 1-methoxy-3-methyl-N-(2-thiophen-2-ylethyl)butan-2-amine?
The canonical SMILES for 1-methoxy-3-methyl-N-(2-thiophen-2-ylethyl)butan-2-amine is COCC(NCCc1cccs1)C(C)C.
What is the InChIKey of 1-methoxy-3-methyl-N-(2-thiophen-2-ylethyl)butan-2-amine?
The InChIKey is XZQWHMQCZWYERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-10(2)12(9-14-3)13-7-6-11-5-4-8-15-11/h4-5,8,10,12-13H,6-7,9H2,1-3H3.
What are the key properties of 1-methoxy-3-methyl-N-(2-thiophen-2-ylethyl)butan-2-amine?
1-methoxy-3-methyl-N-(2-thiophen-2-ylethyl)butan-2-amine has a molecular weight of 227.37 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methyl-N-(2-thiophen-2-ylethyl)butan-2-amine is sourced from PubChem (CID 65049089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).