4-[2-(3,4-dichlorophenyl)ethyl]morpholine

C12H15Cl2NO — CID 71716507

IUPAC4-[2-(3,4-dichlorophenyl)ethyl]morpholine
SMILESClc1ccc(CCN2CCOCC2)cc1Cl
InChIInChI=1S/C12H15Cl2NO/c13-11-2-1-10(9-12(11)14)3-4-15-5-7-16-8-6-15/h1-2,9H,3-8H2
InChIKeyLAXFJFIZPUSPPT-UHFFFAOYSA-N
MW260.16 g/mol
LogP2.87
Rot. Bonds3

About 4-[2-(3,4-dichlorophenyl)ethyl]morpholine

4-[2-(3,4-dichlorophenyl)ethyl]morpholine (PubChem CID 71716507) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 4-[2-(3,4-dichlorophenyl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(3,4-dichlorophenyl)ethyl]morpholine
PubChem CID71716507
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name4-[2-(3,4-dichlorophenyl)ethyl]morpholine
SMILESClc1ccc(CCN2CCOCC2)cc1Cl
InChIInChI=1S/C12H15Cl2NO/c13-11-2-1-10(9-12(11)14)3-4-15-5-7-16-8-6-15/h1-2,9H,3-8H2
InChIKeyLAXFJFIZPUSPPT-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dichlorophenyl)ethyl]morpholine?
The IUPAC name of 4-[2-(3,4-dichlorophenyl)ethyl]morpholine (CID 71716507) is 4-[2-(3,4-dichlorophenyl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(3,4-dichlorophenyl)ethyl]morpholine?
The canonical SMILES for 4-[2-(3,4-dichlorophenyl)ethyl]morpholine is Clc1ccc(CCN2CCOCC2)cc1Cl.
What is the InChIKey of 4-[2-(3,4-dichlorophenyl)ethyl]morpholine?
The InChIKey is LAXFJFIZPUSPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c13-11-2-1-10(9-12(11)14)3-4-15-5-7-16-8-6-15/h1-2,9H,3-8H2.
What are the key properties of 4-[2-(3,4-dichlorophenyl)ethyl]morpholine?
4-[2-(3,4-dichlorophenyl)ethyl]morpholine has a molecular weight of 260.16 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dichlorophenyl)ethyl]morpholine is sourced from PubChem (CID 71716507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).