1-(5-ethylthiophen-2-yl)-4-methoxy-2-methylbutan-2-amine

C12H21NOS — CID 62621284

IUPAC1-(5-ethylthiophen-2-yl)-4-methoxy-2-methylbutan-2-amine
SMILESCCc1ccc(CC(C)(N)CCOC)s1
InChIInChI=1S/C12H21NOS/c1-4-10-5-6-11(15-10)9-12(2,13)7-8-14-3/h5-6H,4,7-9,13H2,1-3H3
InChIKeyNZCHBPPQSJGGEF-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.61
Rot. Bonds6

About 1-(5-ethylthiophen-2-yl)-4-methoxy-2-methylbutan-2-amine

1-(5-ethylthiophen-2-yl)-4-methoxy-2-methylbutan-2-amine (PubChem CID 62621284) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-4-methoxy-2-methylbutan-2-amine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-4-methoxy-2-methylbutan-2-amine
PubChem CID62621284
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name1-(5-ethylthiophen-2-yl)-4-methoxy-2-methylbutan-2-amine
SMILESCCc1ccc(CC(C)(N)CCOC)s1
InChIInChI=1S/C12H21NOS/c1-4-10-5-6-11(15-10)9-12(2,13)7-8-14-3/h5-6H,4,7-9,13H2,1-3H3
InChIKeyNZCHBPPQSJGGEF-UHFFFAOYSA-N
XLogP2.61
TPSA35.25 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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-4-methoxy-2-methylbutan-2-amine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-4-methoxy-2-methylbutan-2-amine (CID 62621284) is 1-(5-ethylthiophen-2-yl)-4-methoxy-2-methylbutan-2-amine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-4-methoxy-2-methylbutan-2-amine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-4-methoxy-2-methylbutan-2-amine is CCc1ccc(CC(C)(N)CCOC)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-4-methoxy-2-methylbutan-2-amine?
The InChIKey is NZCHBPPQSJGGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-4-10-5-6-11(15-10)9-12(2,13)7-8-14-3/h5-6H,4,7-9,13H2,1-3H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-4-methoxy-2-methylbutan-2-amine?
1-(5-ethylthiophen-2-yl)-4-methoxy-2-methylbutan-2-amine has a molecular weight of 227.37 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-4-methoxy-2-methylbutan-2-amine is sourced from PubChem (CID 62621284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).