2-(chloromethyl)-4-(1-methylimidazol-2-yl)morpholine

C9H14ClN3O — CID 81209522

IUPAC2-(chloromethyl)-4-(1-methylimidazol-2-yl)morpholine
SMILESCn1ccnc1N1CCOC(CCl)C1
InChIInChI=1S/C9H14ClN3O/c1-12-3-2-11-9(12)13-4-5-14-8(6-10)7-13/h2-3,8H,4-7H2,1H3
InChIKeyHLNVFXGPLWBNGQ-UHFFFAOYSA-N
MW215.68 g/mol
LogP0.86
Rot. Bonds2

About 2-(chloromethyl)-4-(1-methylimidazol-2-yl)morpholine

2-(chloromethyl)-4-(1-methylimidazol-2-yl)morpholine (PubChem CID 81209522) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(1-methylimidazol-2-yl)morpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(1-methylimidazol-2-yl)morpholine
PubChem CID81209522
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name2-(chloromethyl)-4-(1-methylimidazol-2-yl)morpholine
SMILESCn1ccnc1N1CCOC(CCl)C1
InChIInChI=1S/C9H14ClN3O/c1-12-3-2-11-9(12)13-4-5-14-8(6-10)7-13/h2-3,8H,4-7H2,1H3
InChIKeyHLNVFXGPLWBNGQ-UHFFFAOYSA-N
XLogP0.86
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(chloromethyl)morpholin-4-yl]-1-methylpyrazin-2-one
CID 81210787
2-(chloromethyl)-4-[2-(1-methylimidazol-2-yl)ethyl]morpholine
CID 114531807
2-(chloromethyl)-4-pyrazolo[1,5-a]pyrazin-4-ylmorpholine
CID 104734139
2-(chloromethyl)-4-(5,6-dimethylpyrazin-2-yl)morpholine
CID 114477545
2-(chloromethyl)-4-(3-chloro-4-pyridinyl)morpholine
CID 81209519
4-(5-bromo-3-methyl-2-pyridinyl)-2-(chloromethyl)morpholine
CID 81210904
[6,6-dimethyl-4-(1-methylimidazol-2-yl)morpholin-2-yl]methanol
CID 114779352
2-(chloromethyl)-4-(6-methoxy-5-methylpyrimidin-4-yl)morpholine
CID 81210088
[1-(1-methylimidazol-2-yl)piperidin-3-yl]methanamine
CID 62132389
2-(chloromethyl)-4-(7-methoxyisoquinolin-1-yl)morpholine
CID 106542980
1-(1-methylimidazol-2-yl)piperidine;dihydrochloride
CID 141222572
3-(2-bromoethyl)-1-(1-methylimidazol-2-yl)piperidine
CID 80680560

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(1-methylimidazol-2-yl)morpholine?
The IUPAC name of 2-(chloromethyl)-4-(1-methylimidazol-2-yl)morpholine (CID 81209522) is 2-(chloromethyl)-4-(1-methylimidazol-2-yl)morpholine.
What is the SMILES notation for 2-(chloromethyl)-4-(1-methylimidazol-2-yl)morpholine?
The canonical SMILES for 2-(chloromethyl)-4-(1-methylimidazol-2-yl)morpholine is Cn1ccnc1N1CCOC(CCl)C1.
What is the InChIKey of 2-(chloromethyl)-4-(1-methylimidazol-2-yl)morpholine?
The InChIKey is HLNVFXGPLWBNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-12-3-2-11-9(12)13-4-5-14-8(6-10)7-13/h2-3,8H,4-7H2,1H3.
What are the key properties of 2-(chloromethyl)-4-(1-methylimidazol-2-yl)morpholine?
2-(chloromethyl)-4-(1-methylimidazol-2-yl)morpholine has a molecular weight of 215.68 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(1-methylimidazol-2-yl)morpholine is sourced from PubChem (CID 81209522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).