6-(bromomethyl)-4-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylmorpholine

C13H26BrNO3 — CID 103184081

IUPAC6-(bromomethyl)-4-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylmorpholine
SMILESCOCCCOCCN1CC(CBr)OC(C)(C)C1
InChIInChI=1S/C13H26BrNO3/c1-13(2)11-15(10-12(9-14)18-13)5-8-17-7-4-6-16-3/h12H,4-11H2,1-3H3
InChIKeyRUBFGQXFRRCKDH-UHFFFAOYSA-N
MW324.26 g/mol
LogP1.91
Rot. Bonds8

About 6-(bromomethyl)-4-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylmorpholine

6-(bromomethyl)-4-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylmorpholine (PubChem CID 103184081) has the molecular formula C13H26BrNO3 and a molecular weight of 324.26 g/mol. Its IUPAC name is 6-(bromomethyl)-4-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylmorpholine.

Molecular Properties

Compound Name6-(bromomethyl)-4-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylmorpholine
PubChem CID103184081
Molecular FormulaC13H26BrNO3
Molecular Weight324.26 g/mol
Exact Mass323.11
IUPAC Name6-(bromomethyl)-4-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylmorpholine
SMILESCOCCCOCCN1CC(CBr)OC(C)(C)C1
InChIInChI=1S/C13H26BrNO3/c1-13(2)11-15(10-12(9-14)18-13)5-8-17-7-4-6-16-3/h12H,4-11H2,1-3H3
InChIKeyRUBFGQXFRRCKDH-UHFFFAOYSA-N
XLogP1.91
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(bromomethyl)-2,2-dimethyl-4-pentylmorpholine
CID 114780737
6-(bromomethyl)-4-[2-(4-bromophenoxy)ethyl]-2,2-dimethylmorpholine
CID 114780794
6-(bromomethyl)-2,2-dimethyl-4-(2-methylpropyl)morpholine
CID 114780738
2-(bromomethyl)-4-[3-(2-methoxyethoxy)propyl]morpholine
CID 103413126
[1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]methanamine
CID 103184107
(3S,4R)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidine-3,4-diol
CID 103182797
[4-[2-(3-methoxypropoxy)ethyl]-6-methylmorpholin-2-yl]methanamine
CID 103184117
6-(bromomethyl)-2,2-dimethyl-4-[2-(2-methylimidazol-1-yl)ethyl]morpholine
CID 114780779
6-(bromomethyl)-2,2-dimethyl-4-(2-thiophen-3-ylethyl)morpholine
CID 114780725
(6R)-4-benzyl-6-(bromomethyl)-2,2-dimethylmorpholine
CID 154725513
6-(chloromethyl)-2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine
CID 114780607
1-[2-(3-methoxypropoxy)ethyl]-N,3-dimethylpiperidin-4-amine
CID 103177262

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-4-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylmorpholine?
The IUPAC name of 6-(bromomethyl)-4-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylmorpholine (CID 103184081) is 6-(bromomethyl)-4-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylmorpholine.
What is the SMILES notation for 6-(bromomethyl)-4-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylmorpholine?
The canonical SMILES for 6-(bromomethyl)-4-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylmorpholine is COCCCOCCN1CC(CBr)OC(C)(C)C1.
What is the InChIKey of 6-(bromomethyl)-4-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylmorpholine?
The InChIKey is RUBFGQXFRRCKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrNO3/c1-13(2)11-15(10-12(9-14)18-13)5-8-17-7-4-6-16-3/h12H,4-11H2,1-3H3.
What are the key properties of 6-(bromomethyl)-4-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylmorpholine?
6-(bromomethyl)-4-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylmorpholine has a molecular weight of 324.26 g/mol, XLogP of 1.91, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-4-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylmorpholine is sourced from PubChem (CID 103184081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).