1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine

C13H19BrClNOS — CID 80530880

IUPAC1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCNC(c1cc(Cl)c(Br)s1)C1C(C)OC(C)C1C
InChIInChI=1S/C13H19BrClNOS/c1-6-7(2)17-8(3)11(6)12(16-4)10-5-9(15)13(14)18-10/h5-8,11-12,16H,1-4H3
InChIKeyRZAWXMUDBGTYJA-UHFFFAOYSA-N
MW352.73 g/mol
LogP4.48
Rot. Bonds3

About 1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine

1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine (PubChem CID 80530880) has the molecular formula C13H19BrClNOS and a molecular weight of 352.73 g/mol. Its IUPAC name is 1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
PubChem CID80530880
Molecular FormulaC13H19BrClNOS
Molecular Weight352.73 g/mol
Exact Mass351.01
IUPAC Name1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCNC(c1cc(Cl)c(Br)s1)C1C(C)OC(C)C1C
InChIInChI=1S/C13H19BrClNOS/c1-6-7(2)17-8(3)11(6)12(16-4)10-5-9(15)13(14)18-10/h5-8,11-12,16H,1-4H3
InChIKeyRZAWXMUDBGTYJA-UHFFFAOYSA-N
XLogP4.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.73
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
The IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine (CID 80530880) is 1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine.
What is the SMILES notation for 1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
The canonical SMILES for 1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine is CNC(c1cc(Cl)c(Br)s1)C1C(C)OC(C)C1C.
What is the InChIKey of 1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
The InChIKey is RZAWXMUDBGTYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrClNOS/c1-6-7(2)17-8(3)11(6)12(16-4)10-5-9(15)13(14)18-10/h5-8,11-12,16H,1-4H3.
What are the key properties of 1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine has a molecular weight of 352.73 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine is sourced from PubChem (CID 80530880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).