2-(chloromethyl)-6-methyl-4-[3-(oxolan-2-yl)propyl]morpholine

C13H24ClNO2 — CID 102936612

IUPAC2-(chloromethyl)-6-methyl-4-[3-(oxolan-2-yl)propyl]morpholine
SMILESCC1CN(CCCC2CCCO2)CC(CCl)O1
InChIInChI=1S/C13H24ClNO2/c1-11-9-15(10-13(8-14)17-11)6-2-4-12-5-3-7-16-12/h11-13H,2-10H2,1H3
InChIKeySZAMLGOUVOSGOS-UHFFFAOYSA-N
MW261.79 g/mol
LogP2.27
Rot. Bonds5

About 2-(chloromethyl)-6-methyl-4-[3-(oxolan-2-yl)propyl]morpholine

2-(chloromethyl)-6-methyl-4-[3-(oxolan-2-yl)propyl]morpholine (PubChem CID 102936612) has the molecular formula C13H24ClNO2 and a molecular weight of 261.79 g/mol. Its IUPAC name is 2-(chloromethyl)-6-methyl-4-[3-(oxolan-2-yl)propyl]morpholine.

Molecular Properties

Compound Name2-(chloromethyl)-6-methyl-4-[3-(oxolan-2-yl)propyl]morpholine
PubChem CID102936612
Molecular FormulaC13H24ClNO2
Molecular Weight261.79 g/mol
Exact Mass261.15
IUPAC Name2-(chloromethyl)-6-methyl-4-[3-(oxolan-2-yl)propyl]morpholine
SMILESCC1CN(CCCC2CCCO2)CC(CCl)O1
InChIInChI=1S/C13H24ClNO2/c1-11-9-15(10-13(8-14)17-11)6-2-4-12-5-3-7-16-12/h11-13H,2-10H2,1H3
InChIKeySZAMLGOUVOSGOS-UHFFFAOYSA-N
XLogP2.27
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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-methyl-4-[2-(oxolan-2-yl)ethyl]morpholin-2-yl]methanamine
CID 102938890
2-(chloromethyl)-6-methyl-4-(4-methylpentyl)morpholine
CID 102936587
(3R,4S)-1-[3-(oxolan-2-yl)propyl]pyrrolidine-3,4-diol
CID 79410973
2-(chloromethyl)-6-methyl-4-(oxolan-2-ylmethylsulfonyl)morpholine
CID 102938021
2-(chloromethyl)-4-(4-methoxybutyl)-6-methylmorpholine
CID 102936556
2-(chloromethyl)-6-methyl-4-(3-methylbutyl)morpholine
CID 102936623
2-(chloromethyl)-4-(3,3-dimethylbutyl)-6-methylmorpholine
CID 102936701
3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine
CID 65162323
3-(2-chloroethyl)-1-[3-(oxolan-2-yl)propyl]piperidine
CID 65165279
3-chloro-4-methyl-1-[2-(oxolan-2-yl)ethyl]pyrrolidine
CID 131165985
(3S)-1-[3-(oxolan-2-yl)propyl]pyrrolidin-3-amine
CID 115302471
2-[2-(chloromethyl)-6-methylmorpholin-4-yl]-N,N-diethylethanamine
CID 107914043

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-methyl-4-[3-(oxolan-2-yl)propyl]morpholine?
The IUPAC name of 2-(chloromethyl)-6-methyl-4-[3-(oxolan-2-yl)propyl]morpholine (CID 102936612) is 2-(chloromethyl)-6-methyl-4-[3-(oxolan-2-yl)propyl]morpholine.
What is the SMILES notation for 2-(chloromethyl)-6-methyl-4-[3-(oxolan-2-yl)propyl]morpholine?
The canonical SMILES for 2-(chloromethyl)-6-methyl-4-[3-(oxolan-2-yl)propyl]morpholine is CC1CN(CCCC2CCCO2)CC(CCl)O1.
What is the InChIKey of 2-(chloromethyl)-6-methyl-4-[3-(oxolan-2-yl)propyl]morpholine?
The InChIKey is SZAMLGOUVOSGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO2/c1-11-9-15(10-13(8-14)17-11)6-2-4-12-5-3-7-16-12/h11-13H,2-10H2,1H3.
What are the key properties of 2-(chloromethyl)-6-methyl-4-[3-(oxolan-2-yl)propyl]morpholine?
2-(chloromethyl)-6-methyl-4-[3-(oxolan-2-yl)propyl]morpholine has a molecular weight of 261.79 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-methyl-4-[3-(oxolan-2-yl)propyl]morpholine is sourced from PubChem (CID 102936612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).