6-(bromomethyl)-2,2-dimethyl-4-(2-thiophen-3-ylethyl)morpholine

C13H20BrNOS — CID 114780725

IUPAC6-(bromomethyl)-2,2-dimethyl-4-(2-thiophen-3-ylethyl)morpholine
SMILESCC1(C)CN(CCc2ccsc2)CC(CBr)O1
InChIInChI=1S/C13H20BrNOS/c1-13(2)10-15(8-12(7-14)16-13)5-3-11-4-6-17-9-11/h4,6,9,12H,3,5,7-8,10H2,1-2H3
InChIKeyYUAXVXOJAAUGFK-UHFFFAOYSA-N
MW318.28 g/mol
LogP3.16
Rot. Bonds4

About 6-(bromomethyl)-2,2-dimethyl-4-(2-thiophen-3-ylethyl)morpholine

6-(bromomethyl)-2,2-dimethyl-4-(2-thiophen-3-ylethyl)morpholine (PubChem CID 114780725) has the molecular formula C13H20BrNOS and a molecular weight of 318.28 g/mol. Its IUPAC name is 6-(bromomethyl)-2,2-dimethyl-4-(2-thiophen-3-ylethyl)morpholine.

Molecular Properties

Compound Name6-(bromomethyl)-2,2-dimethyl-4-(2-thiophen-3-ylethyl)morpholine
PubChem CID114780725
Molecular FormulaC13H20BrNOS
Molecular Weight318.28 g/mol
Exact Mass317.04
IUPAC Name6-(bromomethyl)-2,2-dimethyl-4-(2-thiophen-3-ylethyl)morpholine
SMILESCC1(C)CN(CCc2ccsc2)CC(CBr)O1
InChIInChI=1S/C13H20BrNOS/c1-13(2)10-15(8-12(7-14)16-13)5-3-11-4-6-17-9-11/h4,6,9,12H,3,5,7-8,10H2,1-2H3
InChIKeyYUAXVXOJAAUGFK-UHFFFAOYSA-N
XLogP3.16
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[6,6-dimethyl-4-(2-phenylethyl)morpholin-2-yl]methanol
CID 114779799
6-(bromomethyl)-2,2-dimethyl-4-pentylmorpholine
CID 114780737
N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]-2-thiophen-3-ylethanamine
CID 102746120
6-(bromomethyl)-2,2-dimethyl-4-(2-methylpropyl)morpholine
CID 114780738
3-methyl-1-(2-thiophen-3-ylethyl)pyrrolidine
CID 127001246
methyl 2-[4-(2-thiophen-3-ylethyl)morpholin-2-yl]acetate
CID 79822869
N-methyl-1-[3-methyl-1-(2-thiophen-3-ylethyl)pyrrolidin-3-yl]methanamine
CID 106318742
1-[1-(2-thiophen-3-ylethyl)azetidin-3-yl]piperazine
CID 66194837
3-tert-butyl-1-(2-thiophen-3-ylethyl)-1,4-diazepane
CID 64869318
1-(2-thiophen-3-ylethyl)piperidin-4-amine
CID 61474548
4-bromo-3,3-dimethyl-1-(thiophen-3-ylmethyl)pyrrolidine
CID 130892965
4-methyl-1-(2-thiophen-3-ylethyl)piperidine-4-carbothioamide
CID 107161580

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-2,2-dimethyl-4-(2-thiophen-3-ylethyl)morpholine?
The IUPAC name of 6-(bromomethyl)-2,2-dimethyl-4-(2-thiophen-3-ylethyl)morpholine (CID 114780725) is 6-(bromomethyl)-2,2-dimethyl-4-(2-thiophen-3-ylethyl)morpholine.
What is the SMILES notation for 6-(bromomethyl)-2,2-dimethyl-4-(2-thiophen-3-ylethyl)morpholine?
The canonical SMILES for 6-(bromomethyl)-2,2-dimethyl-4-(2-thiophen-3-ylethyl)morpholine is CC1(C)CN(CCc2ccsc2)CC(CBr)O1.
What is the InChIKey of 6-(bromomethyl)-2,2-dimethyl-4-(2-thiophen-3-ylethyl)morpholine?
The InChIKey is YUAXVXOJAAUGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNOS/c1-13(2)10-15(8-12(7-14)16-13)5-3-11-4-6-17-9-11/h4,6,9,12H,3,5,7-8,10H2,1-2H3.
What are the key properties of 6-(bromomethyl)-2,2-dimethyl-4-(2-thiophen-3-ylethyl)morpholine?
6-(bromomethyl)-2,2-dimethyl-4-(2-thiophen-3-ylethyl)morpholine has a molecular weight of 318.28 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-2,2-dimethyl-4-(2-thiophen-3-ylethyl)morpholine is sourced from PubChem (CID 114780725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).