6-(chloromethyl)-2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine

C13H26ClNO2 — CID 114780607

IUPAC6-(chloromethyl)-2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine
SMILESCC(C)(C)OCCN1CC(CCl)OC(C)(C)C1
InChIInChI=1S/C13H26ClNO2/c1-12(2,3)16-7-6-15-9-11(8-14)17-13(4,5)10-15/h11H,6-10H2,1-5H3
InChIKeyIEAJYSLXVMZJDF-UHFFFAOYSA-N
MW263.81 g/mol
LogP2.52
Rot. Bonds4

About 6-(chloromethyl)-2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine

6-(chloromethyl)-2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine (PubChem CID 114780607) has the molecular formula C13H26ClNO2 and a molecular weight of 263.81 g/mol. Its IUPAC name is 6-(chloromethyl)-2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine.

Molecular Properties

Compound Name6-(chloromethyl)-2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine
PubChem CID114780607
Molecular FormulaC13H26ClNO2
Molecular Weight263.81 g/mol
Exact Mass263.17
IUPAC Name6-(chloromethyl)-2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine
SMILESCC(C)(C)OCCN1CC(CCl)OC(C)(C)C1
InChIInChI=1S/C13H26ClNO2/c1-12(2,3)16-7-6-15-9-11(8-14)17-13(4,5)10-15/h11H,6-10H2,1-5H3
InChIKeyIEAJYSLXVMZJDF-UHFFFAOYSA-N
XLogP2.52
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.81
LogP ≤ 52.52
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

(6S)-2,2,6-trimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine
CID 95236081
6-(chloromethyl)-4-(2-ethylsulfonylethyl)-2,2-dimethylmorpholine
CID 106731416
4-[(E)-but-2-enyl]-6-(chloromethyl)-2,2-dimethylmorpholine
CID 107897805
6-(chloromethyl)-4-(cyclopentylmethyl)-2,2-dimethylmorpholine
CID 114780482
6-(chloromethyl)-2,2-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethyl]morpholine
CID 114015270
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanol
CID 114779184
6-(chloromethyl)-2,2-dimethyl-4-[(5-methyloxolan-2-yl)methyl]morpholine
CID 103140049
[4-(2-aminoethyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114776413
4-tert-butylsulfonyl-6-(chloromethyl)-2,2-dimethylmorpholine
CID 114781769
6-(chloromethyl)-2,2-dimethyl-4-[(1-methylpyrazol-3-yl)methyl]morpholine
CID 114780605
6-(chloromethyl)-4-cyclohexyl-2,2-dimethylmorpholine
CID 114780530
6-(bromomethyl)-4-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylmorpholine
CID 103184081

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine?
The IUPAC name of 6-(chloromethyl)-2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine (CID 114780607) is 6-(chloromethyl)-2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine.
What is the SMILES notation for 6-(chloromethyl)-2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine?
The canonical SMILES for 6-(chloromethyl)-2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine is CC(C)(C)OCCN1CC(CCl)OC(C)(C)C1.
What is the InChIKey of 6-(chloromethyl)-2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine?
The InChIKey is IEAJYSLXVMZJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26ClNO2/c1-12(2,3)16-7-6-15-9-11(8-14)17-13(4,5)10-15/h11H,6-10H2,1-5H3.
What are the key properties of 6-(chloromethyl)-2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine?
6-(chloromethyl)-2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine has a molecular weight of 263.81 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine is sourced from PubChem (CID 114780607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).