4-[5-(chloromethyl)-3-methyl-2-pyridinyl]-2-methylmorpholine

C12H17ClN2O — CID 80628844

IUPAC4-[5-(chloromethyl)-3-methyl-2-pyridinyl]-2-methylmorpholine
SMILESCc1cc(CCl)cnc1N1CCOC(C)C1
InChIInChI=1S/C12H17ClN2O/c1-9-5-11(6-13)7-14-12(9)15-3-4-16-10(2)8-15/h5,7,10H,3-4,6,8H2,1-2H3
InChIKeyTVUYSAGVHIYOOP-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.35
Rot. Bonds2

About 4-[5-(chloromethyl)-3-methyl-2-pyridinyl]-2-methylmorpholine

4-[5-(chloromethyl)-3-methyl-2-pyridinyl]-2-methylmorpholine (PubChem CID 80628844) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 4-[5-(chloromethyl)-3-methyl-2-pyridinyl]-2-methylmorpholine.

Molecular Properties

Compound Name4-[5-(chloromethyl)-3-methyl-2-pyridinyl]-2-methylmorpholine
PubChem CID80628844
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name4-[5-(chloromethyl)-3-methyl-2-pyridinyl]-2-methylmorpholine
SMILESCc1cc(CCl)cnc1N1CCOC(C)C1
InChIInChI=1S/C12H17ClN2O/c1-9-5-11(6-13)7-14-12(9)15-3-4-16-10(2)8-15/h5,7,10H,3-4,6,8H2,1-2H3
InChIKeyTVUYSAGVHIYOOP-UHFFFAOYSA-N
XLogP2.35
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-[5-(chloromethyl)-3-methyl-2-pyridinyl]-2-methylmorpholine?
The IUPAC name of 4-[5-(chloromethyl)-3-methyl-2-pyridinyl]-2-methylmorpholine (CID 80628844) is 4-[5-(chloromethyl)-3-methyl-2-pyridinyl]-2-methylmorpholine.
What is the SMILES notation for 4-[5-(chloromethyl)-3-methyl-2-pyridinyl]-2-methylmorpholine?
The canonical SMILES for 4-[5-(chloromethyl)-3-methyl-2-pyridinyl]-2-methylmorpholine is Cc1cc(CCl)cnc1N1CCOC(C)C1.
What is the InChIKey of 4-[5-(chloromethyl)-3-methyl-2-pyridinyl]-2-methylmorpholine?
The InChIKey is TVUYSAGVHIYOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-9-5-11(6-13)7-14-12(9)15-3-4-16-10(2)8-15/h5,7,10H,3-4,6,8H2,1-2H3.
What are the key properties of 4-[5-(chloromethyl)-3-methyl-2-pyridinyl]-2-methylmorpholine?
4-[5-(chloromethyl)-3-methyl-2-pyridinyl]-2-methylmorpholine has a molecular weight of 240.73 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(chloromethyl)-3-methyl-2-pyridinyl]-2-methylmorpholine is sourced from PubChem (CID 80628844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).