2-(chloromethyl)-4-[(2-chlorophenyl)methyl]morpholine

C12H15Cl2NO — CID 4962062

IUPAC2-(chloromethyl)-4-[(2-chlorophenyl)methyl]morpholine
SMILESClCC1CN(Cc2ccccc2Cl)CCO1
InChIInChI=1S/C12H15Cl2NO/c13-7-11-9-15(5-6-16-11)8-10-3-1-2-4-12(10)14/h1-4,11H,5-9H2
InChIKeyGMRPTPFVUNCUFC-UHFFFAOYSA-N
MW260.16 g/mol
LogP2.78
Rot. Bonds3

About 2-(chloromethyl)-4-[(2-chlorophenyl)methyl]morpholine

2-(chloromethyl)-4-[(2-chlorophenyl)methyl]morpholine (PubChem CID 4962062) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 2-(chloromethyl)-4-[(2-chlorophenyl)methyl]morpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-[(2-chlorophenyl)methyl]morpholine
PubChem CID4962062
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name2-(chloromethyl)-4-[(2-chlorophenyl)methyl]morpholine
SMILESClCC1CN(Cc2ccccc2Cl)CCO1
InChIInChI=1S/C12H15Cl2NO/c13-7-11-9-15(5-6-16-11)8-10-3-1-2-4-12(10)14/h1-4,11H,5-9H2
InChIKeyGMRPTPFVUNCUFC-UHFFFAOYSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 52.78
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-[(2-chlorophenyl)methyl]morpholine?
The IUPAC name of 2-(chloromethyl)-4-[(2-chlorophenyl)methyl]morpholine (CID 4962062) is 2-(chloromethyl)-4-[(2-chlorophenyl)methyl]morpholine.
What is the SMILES notation for 2-(chloromethyl)-4-[(2-chlorophenyl)methyl]morpholine?
The canonical SMILES for 2-(chloromethyl)-4-[(2-chlorophenyl)methyl]morpholine is ClCC1CN(Cc2ccccc2Cl)CCO1.
What is the InChIKey of 2-(chloromethyl)-4-[(2-chlorophenyl)methyl]morpholine?
The InChIKey is GMRPTPFVUNCUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c13-7-11-9-15(5-6-16-11)8-10-3-1-2-4-12(10)14/h1-4,11H,5-9H2.
What are the key properties of 2-(chloromethyl)-4-[(2-chlorophenyl)methyl]morpholine?
2-(chloromethyl)-4-[(2-chlorophenyl)methyl]morpholine has a molecular weight of 260.16 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-[(2-chlorophenyl)methyl]morpholine is sourced from PubChem (CID 4962062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).