6-(chloromethyl)-2,2-dimethyl-4-[(5-methyloxolan-2-yl)methyl]morpholine

C13H24ClNO2 — CID 103140049

IUPAC6-(chloromethyl)-2,2-dimethyl-4-[(5-methyloxolan-2-yl)methyl]morpholine
SMILESCC1CCC(CN2CC(CCl)OC(C)(C)C2)O1
InChIInChI=1S/C13H24ClNO2/c1-10-4-5-11(16-10)7-15-8-12(6-14)17-13(2,3)9-15/h10-12H,4-9H2,1-3H3
InChIKeyPQMAPYVJKBULJA-UHFFFAOYSA-N
MW261.79 g/mol
LogP2.27
Rot. Bonds3

About 6-(chloromethyl)-2,2-dimethyl-4-[(5-methyloxolan-2-yl)methyl]morpholine

6-(chloromethyl)-2,2-dimethyl-4-[(5-methyloxolan-2-yl)methyl]morpholine (PubChem CID 103140049) has the molecular formula C13H24ClNO2 and a molecular weight of 261.79 g/mol. Its IUPAC name is 6-(chloromethyl)-2,2-dimethyl-4-[(5-methyloxolan-2-yl)methyl]morpholine.

Molecular Properties

Compound Name6-(chloromethyl)-2,2-dimethyl-4-[(5-methyloxolan-2-yl)methyl]morpholine
PubChem CID103140049
Molecular FormulaC13H24ClNO2
Molecular Weight261.79 g/mol
Exact Mass261.15
IUPAC Name6-(chloromethyl)-2,2-dimethyl-4-[(5-methyloxolan-2-yl)methyl]morpholine
SMILESCC1CCC(CN2CC(CCl)OC(C)(C)C2)O1
InChIInChI=1S/C13H24ClNO2/c1-10-4-5-11(16-10)7-15-8-12(6-14)17-13(2,3)9-15/h10-12H,4-9H2,1-3H3
InChIKeyPQMAPYVJKBULJA-UHFFFAOYSA-N
XLogP2.27
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.79
LogP ≤ 52.27
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-(chloromethyl)-4-(cyclopentylmethyl)-2,2-dimethylmorpholine
CID 114780482
N-methyl-1-[5-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxolan-2-yl]methanamine
CID 62436334
6-(chloromethyl)-4-(2-ethylsulfonylethyl)-2,2-dimethylmorpholine
CID 106731416
[4-[(5,5-dimethyloxolan-2-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114780051
4-[(E)-but-2-enyl]-6-(chloromethyl)-2,2-dimethylmorpholine
CID 107897805
6-(chloromethyl)-4-cyclohexyl-2,2-dimethylmorpholine
CID 114780530
(3R,4S)-1-[(5-methyloxolan-2-yl)methyl]pyrrolidine-3,4-diol
CID 103137660
6-(chloromethyl)-2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine
CID 114780607
6-(chloromethyl)-2,2-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethyl]morpholine
CID 114015270
4-methyl-1-[(5-methyloxolan-2-yl)methyl]piperidin-4-ol
CID 103137665
6-(chloromethyl)-2,2-dimethyl-4-[(1-methylpyrazol-3-yl)methyl]morpholine
CID 114780605
[6,6-dimethyl-4-(piperidin-4-ylmethyl)morpholin-2-yl]methanol
CID 114782610

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-2,2-dimethyl-4-[(5-methyloxolan-2-yl)methyl]morpholine?
The IUPAC name of 6-(chloromethyl)-2,2-dimethyl-4-[(5-methyloxolan-2-yl)methyl]morpholine (CID 103140049) is 6-(chloromethyl)-2,2-dimethyl-4-[(5-methyloxolan-2-yl)methyl]morpholine.
What is the SMILES notation for 6-(chloromethyl)-2,2-dimethyl-4-[(5-methyloxolan-2-yl)methyl]morpholine?
The canonical SMILES for 6-(chloromethyl)-2,2-dimethyl-4-[(5-methyloxolan-2-yl)methyl]morpholine is CC1CCC(CN2CC(CCl)OC(C)(C)C2)O1.
What is the InChIKey of 6-(chloromethyl)-2,2-dimethyl-4-[(5-methyloxolan-2-yl)methyl]morpholine?
The InChIKey is PQMAPYVJKBULJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO2/c1-10-4-5-11(16-10)7-15-8-12(6-14)17-13(2,3)9-15/h10-12H,4-9H2,1-3H3.
What are the key properties of 6-(chloromethyl)-2,2-dimethyl-4-[(5-methyloxolan-2-yl)methyl]morpholine?
6-(chloromethyl)-2,2-dimethyl-4-[(5-methyloxolan-2-yl)methyl]morpholine has a molecular weight of 261.79 g/mol, XLogP of 2.27, 3 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-[(5-methyloxolan-2-yl)methyl]morpholine is sourced from PubChem (CID 103140049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).