4-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-2,2-dimethylmorpholine

C14H21ClN2O — CID 61256841

IUPAC4-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-2,2-dimethylmorpholine
SMILESCc1cc(C)c(CCl)c(N2CCOC(C)(C)C2)n1
InChIInChI=1S/C14H21ClN2O/c1-10-7-11(2)16-13(12(10)8-15)17-5-6-18-14(3,4)9-17/h7H,5-6,8-9H2,1-4H3
InChIKeyBCYGOADNHRJCIC-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.05
Rot. Bonds2

About 4-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-2,2-dimethylmorpholine

4-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-2,2-dimethylmorpholine (PubChem CID 61256841) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 4-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-2,2-dimethylmorpholine.

Molecular Properties

Compound Name4-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-2,2-dimethylmorpholine
PubChem CID61256841
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name4-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-2,2-dimethylmorpholine
SMILESCc1cc(C)c(CCl)c(N2CCOC(C)(C)C2)n1
InChIInChI=1S/C14H21ClN2O/c1-10-7-11(2)16-13(12(10)8-15)17-5-6-18-14(3,4)9-17/h7H,5-6,8-9H2,1-4H3
InChIKeyBCYGOADNHRJCIC-UHFFFAOYSA-N
XLogP3.05
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.05
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-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-2,2-dimethylmorpholine?
The IUPAC name of 4-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-2,2-dimethylmorpholine (CID 61256841) is 4-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-2,2-dimethylmorpholine.
What is the SMILES notation for 4-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-2,2-dimethylmorpholine?
The canonical SMILES for 4-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-2,2-dimethylmorpholine is Cc1cc(C)c(CCl)c(N2CCOC(C)(C)C2)n1.
What is the InChIKey of 4-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-2,2-dimethylmorpholine?
The InChIKey is BCYGOADNHRJCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-10-7-11(2)16-13(12(10)8-15)17-5-6-18-14(3,4)9-17/h7H,5-6,8-9H2,1-4H3.
What are the key properties of 4-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-2,2-dimethylmorpholine?
4-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-2,2-dimethylmorpholine has a molecular weight of 268.79 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-2,2-dimethylmorpholine is sourced from PubChem (CID 61256841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).