1-(4-methoxythiophen-2-yl)-N,2-dimethylbutan-1-amine

C11H19NOS — CID 105017620

IUPAC1-(4-methoxythiophen-2-yl)-N,2-dimethylbutan-1-amine
SMILESCCC(C)C(NC)c1cc(OC)cs1
InChIInChI=1S/C11H19NOS/c1-5-8(2)11(12-3)10-6-9(13-4)7-14-10/h6-8,11-12H,5H2,1-4H3
InChIKeyJUPZLRHEDHAQHT-UHFFFAOYSA-N
MW213.35 g/mol
LogP3.06
Rot. Bonds5

About 1-(4-methoxythiophen-2-yl)-N,2-dimethylbutan-1-amine

1-(4-methoxythiophen-2-yl)-N,2-dimethylbutan-1-amine (PubChem CID 105017620) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 1-(4-methoxythiophen-2-yl)-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(4-methoxythiophen-2-yl)-N,2-dimethylbutan-1-amine
PubChem CID105017620
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name1-(4-methoxythiophen-2-yl)-N,2-dimethylbutan-1-amine
SMILESCCC(C)C(NC)c1cc(OC)cs1
InChIInChI=1S/C11H19NOS/c1-5-8(2)11(12-3)10-6-9(13-4)7-14-10/h6-8,11-12H,5H2,1-4H3
InChIKeyJUPZLRHEDHAQHT-UHFFFAOYSA-N
XLogP3.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-methoxythiophen-2-yl)-2-methylpentyl]hydrazine
CID 107896030
1-(4-methoxythiophen-2-yl)-N-methylpentan-1-amine
CID 115833083
1-(4-methoxythiophen-2-yl)-N-methyl-2-propan-2-yloxyethanamine
CID 105013504
4-methoxy-1-(4-methoxythiophen-2-yl)-2-methyl-N-propylbutan-1-amine
CID 105044507
2-(furan-3-yl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
CID 105030240
1-(4-methoxythiophen-2-yl)ethanol
CID 115840733
1-(4-methoxythiophen-2-yl)pentan-1-ol
CID 115783270
1-(4-methoxythiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 81126757
1-(4-methoxythiophen-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 81126484
2-(3,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
CID 115800875
2-(4-fluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
CID 81122347
4-methoxy-1-(4-methoxythiophen-2-yl)-2-methylbutan-1-ol
CID 115836147

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxythiophen-2-yl)-N,2-dimethylbutan-1-amine?
The IUPAC name of 1-(4-methoxythiophen-2-yl)-N,2-dimethylbutan-1-amine (CID 105017620) is 1-(4-methoxythiophen-2-yl)-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(4-methoxythiophen-2-yl)-N,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(4-methoxythiophen-2-yl)-N,2-dimethylbutan-1-amine is CCC(C)C(NC)c1cc(OC)cs1.
What is the InChIKey of 1-(4-methoxythiophen-2-yl)-N,2-dimethylbutan-1-amine?
The InChIKey is JUPZLRHEDHAQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-5-8(2)11(12-3)10-6-9(13-4)7-14-10/h6-8,11-12H,5H2,1-4H3.
What are the key properties of 1-(4-methoxythiophen-2-yl)-N,2-dimethylbutan-1-amine?
1-(4-methoxythiophen-2-yl)-N,2-dimethylbutan-1-amine has a molecular weight of 213.35 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxythiophen-2-yl)-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 105017620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).