2-(chloromethyl)-4-propan-2-ylmorpholine

C8H16ClNO — CID 12832480

IUPAC2-(chloromethyl)-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(CCl)C1
InChIInChI=1S/C8H16ClNO/c1-7(2)10-3-4-11-8(5-9)6-10/h7-8H,3-6H2,1-2H3
InChIKeyPBMGKUKINJVKRC-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.33
Rot. Bonds2

About 2-(chloromethyl)-4-propan-2-ylmorpholine

2-(chloromethyl)-4-propan-2-ylmorpholine (PubChem CID 12832480) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 2-(chloromethyl)-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-propan-2-ylmorpholine
PubChem CID12832480
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name2-(chloromethyl)-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(CCl)C1
InChIInChI=1S/C8H16ClNO/c1-7(2)10-3-4-11-8(5-9)6-10/h7-8H,3-6H2,1-2H3
InChIKeyPBMGKUKINJVKRC-UHFFFAOYSA-N
XLogP1.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-propan-2-ylmorpholine?
The IUPAC name of 2-(chloromethyl)-4-propan-2-ylmorpholine (CID 12832480) is 2-(chloromethyl)-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-(chloromethyl)-4-propan-2-ylmorpholine?
The canonical SMILES for 2-(chloromethyl)-4-propan-2-ylmorpholine is CC(C)N1CCOC(CCl)C1.
What is the InChIKey of 2-(chloromethyl)-4-propan-2-ylmorpholine?
The InChIKey is PBMGKUKINJVKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO/c1-7(2)10-3-4-11-8(5-9)6-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-(chloromethyl)-4-propan-2-ylmorpholine?
2-(chloromethyl)-4-propan-2-ylmorpholine has a molecular weight of 177.67 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-propan-2-ylmorpholine is sourced from PubChem (CID 12832480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).