2-(chloromethyl)-4-[3-(2-methoxyethoxy)propyl]-5-methylmorpholine

C12H24ClNO3 — CID 103413132

IUPAC2-(chloromethyl)-4-[3-(2-methoxyethoxy)propyl]-5-methylmorpholine
SMILESCOCCOCCCN1CC(CCl)OCC1C
InChIInChI=1S/C12H24ClNO3/c1-11-10-17-12(8-13)9-14(11)4-3-5-16-7-6-15-2/h11-12H,3-10H2,1-2H3
InChIKeyODFDXWAFKUATSQ-UHFFFAOYSA-N
MW265.78 g/mol
LogP1.37
Rot. Bonds8

About 2-(chloromethyl)-4-[3-(2-methoxyethoxy)propyl]-5-methylmorpholine

2-(chloromethyl)-4-[3-(2-methoxyethoxy)propyl]-5-methylmorpholine (PubChem CID 103413132) has the molecular formula C12H24ClNO3 and a molecular weight of 265.78 g/mol. Its IUPAC name is 2-(chloromethyl)-4-[3-(2-methoxyethoxy)propyl]-5-methylmorpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-[3-(2-methoxyethoxy)propyl]-5-methylmorpholine
PubChem CID103413132
Molecular FormulaC12H24ClNO3
Molecular Weight265.78 g/mol
Exact Mass265.14
IUPAC Name2-(chloromethyl)-4-[3-(2-methoxyethoxy)propyl]-5-methylmorpholine
SMILESCOCCOCCCN1CC(CCl)OCC1C
InChIInChI=1S/C12H24ClNO3/c1-11-10-17-12(8-13)9-14(11)4-3-5-16-7-6-15-2/h11-12H,3-10H2,1-2H3
InChIKeyODFDXWAFKUATSQ-UHFFFAOYSA-N
XLogP1.37
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-4-(2-methoxyethyl)-5-methylmorpholine
CID 81210752
2-(chloromethyl)-4-hexyl-5-methylmorpholine
CID 81209823
[4-[2-(2-methoxyethoxy)ethyl]-5-methylmorpholin-2-yl]methanamine
CID 81217217
[4-(4-methoxybutyl)-5-methylmorpholin-2-yl]methanamine
CID 104649820
2-(chloromethyl)-5-methyl-4-[2-(2-methylpropoxy)ethyl]morpholine
CID 106457788
1-[3-(2-methoxyethoxy)propyl]-6-methylpiperidin-3-amine
CID 103411737
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-ol
CID 114286796
2-[(2S,5S)-2-(methoxymethyl)-5-methylmorpholin-4-yl]ethanol
CID 57087699
[5-methyl-4-(2-propoxyethyl)morpholin-2-yl]methanamine
CID 106457949
(5-methyl-4-octylmorpholin-2-yl)methanamine
CID 81217426
2-(bromomethyl)-4-heptyl-5-methylmorpholine
CID 81209581
4-chloro-1-[3-(2-methoxyethoxy)propyl]piperidine
CID 103412995

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-[3-(2-methoxyethoxy)propyl]-5-methylmorpholine?
The IUPAC name of 2-(chloromethyl)-4-[3-(2-methoxyethoxy)propyl]-5-methylmorpholine (CID 103413132) is 2-(chloromethyl)-4-[3-(2-methoxyethoxy)propyl]-5-methylmorpholine.
What is the SMILES notation for 2-(chloromethyl)-4-[3-(2-methoxyethoxy)propyl]-5-methylmorpholine?
The canonical SMILES for 2-(chloromethyl)-4-[3-(2-methoxyethoxy)propyl]-5-methylmorpholine is COCCOCCCN1CC(CCl)OCC1C.
What is the InChIKey of 2-(chloromethyl)-4-[3-(2-methoxyethoxy)propyl]-5-methylmorpholine?
The InChIKey is ODFDXWAFKUATSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO3/c1-11-10-17-12(8-13)9-14(11)4-3-5-16-7-6-15-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-(chloromethyl)-4-[3-(2-methoxyethoxy)propyl]-5-methylmorpholine?
2-(chloromethyl)-4-[3-(2-methoxyethoxy)propyl]-5-methylmorpholine has a molecular weight of 265.78 g/mol, XLogP of 1.37, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-[3-(2-methoxyethoxy)propyl]-5-methylmorpholine is sourced from PubChem (CID 103413132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).