6-(bromomethyl)-4-(3-ethoxy-2-pyridinyl)-2,2-dimethylmorpholine

C14H21BrN2O2 — CID 114781073

IUPAC6-(bromomethyl)-4-(3-ethoxy-2-pyridinyl)-2,2-dimethylmorpholine
SMILESCCOc1cccnc1N1CC(CBr)OC(C)(C)C1
InChIInChI=1S/C14H21BrN2O2/c1-4-18-12-6-5-7-16-13(12)17-9-11(8-15)19-14(2,3)10-17/h5-7,11H,4,8-10H2,1-3H3
InChIKeyFBZZYUYOKPLNHC-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.86
Rot. Bonds4

About 6-(bromomethyl)-4-(3-ethoxy-2-pyridinyl)-2,2-dimethylmorpholine

6-(bromomethyl)-4-(3-ethoxy-2-pyridinyl)-2,2-dimethylmorpholine (PubChem CID 114781073) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 6-(bromomethyl)-4-(3-ethoxy-2-pyridinyl)-2,2-dimethylmorpholine.

Molecular Properties

Compound Name6-(bromomethyl)-4-(3-ethoxy-2-pyridinyl)-2,2-dimethylmorpholine
PubChem CID114781073
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name6-(bromomethyl)-4-(3-ethoxy-2-pyridinyl)-2,2-dimethylmorpholine
SMILESCCOc1cccnc1N1CC(CBr)OC(C)(C)C1
InChIInChI=1S/C14H21BrN2O2/c1-4-18-12-6-5-7-16-13(12)17-9-11(8-15)19-14(2,3)10-17/h5-7,11H,4,8-10H2,1-3H3
InChIKeyFBZZYUYOKPLNHC-UHFFFAOYSA-N
XLogP2.86
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(chloromethyl)-2,2-dimethyl-4-(3-methyl-2-pyridinyl)morpholine
CID 114780916
6-(bromomethyl)-2,2-dimethyl-4-pyrazin-2-ylmorpholine
CID 114780992
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-3-carboxylic acid
CID 114777180
(3aR,6aS)-5-(3-ethoxy-2-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114042532
6-(bromomethyl)-4-(4,6-dimethylpyrimidin-2-yl)-2,2-dimethylmorpholine
CID 114780970
[6,6-dimethyl-4-(3-methylsulfonyl-2-pyridinyl)morpholin-2-yl]methanol
CID 114779341
2-[[(2R)-4-(3-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 129484491
6-(bromomethyl)-2,2-dimethyl-4-(4-methyl-6-propoxypyrimidin-2-yl)morpholine
CID 114781072
6-(bromomethyl)-2,2-dimethyl-4-(6-propoxypyrimidin-4-yl)morpholine
CID 114780964
6-(bromomethyl)-4-(4-ethyl-1,3-thiazol-2-yl)-2,2-dimethylmorpholine
CID 114780974
6-(bromomethyl)-4-(2-ethylsulfonylphenyl)-2,2-dimethylmorpholine
CID 114781050
(6,6-dimethyl-4-pyrimidin-2-ylmorpholin-2-yl)methanamine
CID 114782260

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-4-(3-ethoxy-2-pyridinyl)-2,2-dimethylmorpholine?
The IUPAC name of 6-(bromomethyl)-4-(3-ethoxy-2-pyridinyl)-2,2-dimethylmorpholine (CID 114781073) is 6-(bromomethyl)-4-(3-ethoxy-2-pyridinyl)-2,2-dimethylmorpholine.
What is the SMILES notation for 6-(bromomethyl)-4-(3-ethoxy-2-pyridinyl)-2,2-dimethylmorpholine?
The canonical SMILES for 6-(bromomethyl)-4-(3-ethoxy-2-pyridinyl)-2,2-dimethylmorpholine is CCOc1cccnc1N1CC(CBr)OC(C)(C)C1.
What is the InChIKey of 6-(bromomethyl)-4-(3-ethoxy-2-pyridinyl)-2,2-dimethylmorpholine?
The InChIKey is FBZZYUYOKPLNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-4-18-12-6-5-7-16-13(12)17-9-11(8-15)19-14(2,3)10-17/h5-7,11H,4,8-10H2,1-3H3.
What are the key properties of 6-(bromomethyl)-4-(3-ethoxy-2-pyridinyl)-2,2-dimethylmorpholine?
6-(bromomethyl)-4-(3-ethoxy-2-pyridinyl)-2,2-dimethylmorpholine has a molecular weight of 329.24 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-4-(3-ethoxy-2-pyridinyl)-2,2-dimethylmorpholine is sourced from PubChem (CID 114781073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).