2-(chloromethyl)-4-(3-methoxycyclohexyl)-6-methylmorpholine

C13H24ClNO2 — CID 102936632

IUPAC2-(chloromethyl)-4-(3-methoxycyclohexyl)-6-methylmorpholine
SMILESCOC1CCCC(N2CC(C)OC(CCl)C2)C1
InChIInChI=1S/C13H24ClNO2/c1-10-8-15(9-13(7-14)17-10)11-4-3-5-12(6-11)16-2/h10-13H,3-9H2,1-2H3
InChIKeyGLOBMFOUWQYTAZ-UHFFFAOYSA-N
MW261.79 g/mol
LogP2.27
Rot. Bonds3

About 2-(chloromethyl)-4-(3-methoxycyclohexyl)-6-methylmorpholine

2-(chloromethyl)-4-(3-methoxycyclohexyl)-6-methylmorpholine (PubChem CID 102936632) has the molecular formula C13H24ClNO2 and a molecular weight of 261.79 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(3-methoxycyclohexyl)-6-methylmorpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(3-methoxycyclohexyl)-6-methylmorpholine
PubChem CID102936632
Molecular FormulaC13H24ClNO2
Molecular Weight261.79 g/mol
Exact Mass261.15
IUPAC Name2-(chloromethyl)-4-(3-methoxycyclohexyl)-6-methylmorpholine
SMILESCOC1CCCC(N2CC(C)OC(CCl)C2)C1
InChIInChI=1S/C13H24ClNO2/c1-10-8-15(9-13(7-14)17-10)11-4-3-5-12(6-11)16-2/h10-13H,3-9H2,1-2H3
InChIKeyGLOBMFOUWQYTAZ-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

4-cyclobutyl-2-ethyl-6-methylmorpholine
CID 131154192
3-(bromomethyl)-1-(3-methoxycyclohexyl)azetidine
CID 130531234
(4-cycloheptyl-6-methylmorpholin-2-yl)methanol
CID 102935879
1-(3-ethoxycyclohexyl)-3-methoxyazetidine
CID 167008529
2,6-dimethyl-4-(3-methylcyclohexyl)morpholine
CID 2846634
(3R)-1-(3-methoxycyclohexyl)pyrrolidin-3-ol
CID 66291270
2-(4-cycloheptyl-6-methylmorpholin-2-yl)ethanamine
CID 82292821
1-(3-methoxycyclohexyl)-3-methylpiperidin-4-one
CID 114500280
1-(azetidin-3-yl)-4-(3-methoxycyclohexyl)piperazine
CID 66201031
(2R,6R)-4-cyclohexyl-2,6-dimethylmorpholine
CID 23262067
4-[2-(chloromethyl)cyclohexyl]-2-ethyl-6-methylmorpholine
CID 123961703
1-[(1S,3S)-3-methoxycyclohexyl]piperidin-4-one
CID 162083212

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(3-methoxycyclohexyl)-6-methylmorpholine?
The IUPAC name of 2-(chloromethyl)-4-(3-methoxycyclohexyl)-6-methylmorpholine (CID 102936632) is 2-(chloromethyl)-4-(3-methoxycyclohexyl)-6-methylmorpholine.
What is the SMILES notation for 2-(chloromethyl)-4-(3-methoxycyclohexyl)-6-methylmorpholine?
The canonical SMILES for 2-(chloromethyl)-4-(3-methoxycyclohexyl)-6-methylmorpholine is COC1CCCC(N2CC(C)OC(CCl)C2)C1.
What is the InChIKey of 2-(chloromethyl)-4-(3-methoxycyclohexyl)-6-methylmorpholine?
The InChIKey is GLOBMFOUWQYTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO2/c1-10-8-15(9-13(7-14)17-10)11-4-3-5-12(6-11)16-2/h10-13H,3-9H2,1-2H3.
What are the key properties of 2-(chloromethyl)-4-(3-methoxycyclohexyl)-6-methylmorpholine?
2-(chloromethyl)-4-(3-methoxycyclohexyl)-6-methylmorpholine 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 2-(chloromethyl)-4-(3-methoxycyclohexyl)-6-methylmorpholine is sourced from PubChem (CID 102936632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).