2-(chloromethyl)-4-(2-ethylhexyl)-5-methylmorpholine

C14H28ClNO — CID 81210661

IUPAC2-(chloromethyl)-4-(2-ethylhexyl)-5-methylmorpholine
SMILESCCCCC(CC)CN1CC(CCl)OCC1C
InChIInChI=1S/C14H28ClNO/c1-4-6-7-13(5-2)9-16-10-14(8-15)17-11-12(16)3/h12-14H,4-11H2,1-3H3
InChIKeyZLERPRGSOTZOPT-UHFFFAOYSA-N
MW261.84 g/mol
LogP3.53
Rot. Bonds7

About 2-(chloromethyl)-4-(2-ethylhexyl)-5-methylmorpholine

2-(chloromethyl)-4-(2-ethylhexyl)-5-methylmorpholine (PubChem CID 81210661) has the molecular formula C14H28ClNO and a molecular weight of 261.84 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(2-ethylhexyl)-5-methylmorpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(2-ethylhexyl)-5-methylmorpholine
PubChem CID81210661
Molecular FormulaC14H28ClNO
Molecular Weight261.84 g/mol
Exact Mass261.19
IUPAC Name2-(chloromethyl)-4-(2-ethylhexyl)-5-methylmorpholine
SMILESCCCCC(CC)CN1CC(CCl)OCC1C
InChIInChI=1S/C14H28ClNO/c1-4-6-7-13(5-2)9-16-10-14(8-15)17-11-12(16)3/h12-14H,4-11H2,1-3H3
InChIKeyZLERPRGSOTZOPT-UHFFFAOYSA-N
XLogP3.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.84
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-4-hexyl-5-methylmorpholine
CID 81209823
2-(chloromethyl)-4-(2-ethylhexyl)morpholine
CID 81210479
4-[2-(bromomethyl)butyl]-2,5-dimethylmorpholine
CID 65000043
2-(chloromethyl)-4-(2-methoxyethyl)-5-methylmorpholine
CID 81210752
(2R)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-ol
CID 106932860
1-(2-ethylhexyl)-2-methylpiperidin-4-one
CID 107815386
1-(2-ethylhexyl)-4-methylpyrrolidin-3-amine
CID 103576746
(5-methyl-4-octylmorpholin-2-yl)methanamine
CID 81217426
2-(chloromethyl)-5-methyl-4-propylsulfonylmorpholine
CID 81211688
2-(bromomethyl)-4-heptyl-5-methylmorpholine
CID 81209581
1-(2-ethylhexyl)-4,6-dimethyl-1,5-diazocane
CID 107817900
2-(chloromethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylmorpholine
CID 81209600

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(2-ethylhexyl)-5-methylmorpholine?
The IUPAC name of 2-(chloromethyl)-4-(2-ethylhexyl)-5-methylmorpholine (CID 81210661) is 2-(chloromethyl)-4-(2-ethylhexyl)-5-methylmorpholine.
What is the SMILES notation for 2-(chloromethyl)-4-(2-ethylhexyl)-5-methylmorpholine?
The canonical SMILES for 2-(chloromethyl)-4-(2-ethylhexyl)-5-methylmorpholine is CCCCC(CC)CN1CC(CCl)OCC1C.
What is the InChIKey of 2-(chloromethyl)-4-(2-ethylhexyl)-5-methylmorpholine?
The InChIKey is ZLERPRGSOTZOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28ClNO/c1-4-6-7-13(5-2)9-16-10-14(8-15)17-11-12(16)3/h12-14H,4-11H2,1-3H3.
What are the key properties of 2-(chloromethyl)-4-(2-ethylhexyl)-5-methylmorpholine?
2-(chloromethyl)-4-(2-ethylhexyl)-5-methylmorpholine has a molecular weight of 261.84 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(2-ethylhexyl)-5-methylmorpholine is sourced from PubChem (CID 81210661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).