1-(5-chlorothiophen-2-yl)-3-methoxy-N,3-dimethylbutan-2-amine

C11H18ClNOS — CID 79198136

IUPAC1-(5-chlorothiophen-2-yl)-3-methoxy-N,3-dimethylbutan-2-amine
SMILESCNC(Cc1ccc(Cl)s1)C(C)(C)OC
InChIInChI=1S/C11H18ClNOS/c1-11(2,14-4)9(13-3)7-8-5-6-10(12)15-8/h5-6,9,13H,7H2,1-4H3
InChIKeyCBOONGRWEPDJIS-UHFFFAOYSA-N
MW247.79 g/mol
LogP2.96
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-3-methoxy-N,3-dimethylbutan-2-amine

1-(5-chlorothiophen-2-yl)-3-methoxy-N,3-dimethylbutan-2-amine (PubChem CID 79198136) has the molecular formula C11H18ClNOS and a molecular weight of 247.79 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-3-methoxy-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-3-methoxy-N,3-dimethylbutan-2-amine
PubChem CID79198136
Molecular FormulaC11H18ClNOS
Molecular Weight247.79 g/mol
Exact Mass247.08
IUPAC Name1-(5-chlorothiophen-2-yl)-3-methoxy-N,3-dimethylbutan-2-amine
SMILESCNC(Cc1ccc(Cl)s1)C(C)(C)OC
InChIInChI=1S/C11H18ClNOS/c1-11(2,14-4)9(13-3)7-8-5-6-10(12)15-8/h5-6,9,13H,7H2,1-4H3
InChIKeyCBOONGRWEPDJIS-UHFFFAOYSA-N
XLogP2.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.79
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-3-methoxy-N,3-dimethylbutan-2-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-3-methoxy-N,3-dimethylbutan-2-amine (CID 79198136) is 1-(5-chlorothiophen-2-yl)-3-methoxy-N,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-3-methoxy-N,3-dimethylbutan-2-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-3-methoxy-N,3-dimethylbutan-2-amine is CNC(Cc1ccc(Cl)s1)C(C)(C)OC.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-3-methoxy-N,3-dimethylbutan-2-amine?
The InChIKey is CBOONGRWEPDJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNOS/c1-11(2,14-4)9(13-3)7-8-5-6-10(12)15-8/h5-6,9,13H,7H2,1-4H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-3-methoxy-N,3-dimethylbutan-2-amine?
1-(5-chlorothiophen-2-yl)-3-methoxy-N,3-dimethylbutan-2-amine has a molecular weight of 247.79 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-3-methoxy-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 79198136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).