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

C11H18ClNOS — CID 107360216

IUPAC1-(3-chlorothiophen-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine
SMILESCNC(c1sccc1Cl)C(OC)C(C)C
InChIInChI=1S/C11H18ClNOS/c1-7(2)10(14-4)9(13-3)11-8(12)5-6-15-11/h5-7,9-10,13H,1-4H3
InChIKeyYITISCOFLIEFMB-UHFFFAOYSA-N
MW247.79 g/mol
LogP3.33
Rot. Bonds5

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

1-(3-chlorothiophen-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine (PubChem CID 107360216) has the molecular formula C11H18ClNOS and a molecular weight of 247.79 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine
PubChem CID107360216
Molecular FormulaC11H18ClNOS
Molecular Weight247.79 g/mol
Exact Mass247.08
IUPAC Name1-(3-chlorothiophen-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine
SMILESCNC(c1sccc1Cl)C(OC)C(C)C
InChIInChI=1S/C11H18ClNOS/c1-7(2)10(14-4)9(13-3)11-8(12)5-6-15-11/h5-7,9-10,13H,1-4H3
InChIKeyYITISCOFLIEFMB-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine (CID 107360216) is 1-(3-chlorothiophen-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine is CNC(c1sccc1Cl)C(OC)C(C)C.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine?
The InChIKey is YITISCOFLIEFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNOS/c1-7(2)10(14-4)9(13-3)11-8(12)5-6-15-11/h5-7,9-10,13H,1-4H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine?
1-(3-chlorothiophen-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine has a molecular weight of 247.79 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 107360216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).