4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-amine

C15H25BrN2OS — CID 79933453

IUPAC4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESCN(Cc1cc(Br)cs1)CC1C(N)C(C)(C)OC1(C)C
InChIInChI=1S/C15H25BrN2OS/c1-14(2)12(13(17)15(3,4)19-14)8-18(5)7-11-6-10(16)9-20-11/h6,9,12-13H,7-8,17H2,1-5H3
InChIKeySIAALBPFTQDVMG-UHFFFAOYSA-N
MW361.35 g/mol
LogP3.47
Rot. Bonds4

About 4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-amine

4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 79933453) has the molecular formula C15H25BrN2OS and a molecular weight of 361.35 g/mol. Its IUPAC name is 4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound Name4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID79933453
Molecular FormulaC15H25BrN2OS
Molecular Weight361.35 g/mol
Exact Mass360.09
IUPAC Name4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESCN(Cc1cc(Br)cs1)CC1C(N)C(C)(C)OC1(C)C
InChIInChI=1S/C15H25BrN2OS/c1-14(2)12(13(17)15(3,4)19-14)8-18(5)7-11-6-10(16)9-20-11/h6,9,12-13H,7-8,17H2,1-5H3
InChIKeySIAALBPFTQDVMG-UHFFFAOYSA-N
XLogP3.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of 4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-amine (CID 79933453) is 4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for 4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for 4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-amine is CN(Cc1cc(Br)cs1)CC1C(N)C(C)(C)OC1(C)C.
What is the InChIKey of 4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is SIAALBPFTQDVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2OS/c1-14(2)12(13(17)15(3,4)19-14)8-18(5)7-11-6-10(16)9-20-11/h6,9,12-13H,7-8,17H2,1-5H3.
What are the key properties of 4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-amine?
4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 361.35 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 79933453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).