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

C11H13Cl2NO — CID 782574

IUPAC4-[(2,3-dichlorophenyl)methyl]morpholine
SMILESClc1cccc(CN2CCOCC2)c1Cl
InChIInChI=1S/C11H13Cl2NO/c12-10-3-1-2-9(11(10)13)8-14-4-6-15-7-5-14/h1-3H,4-8H2
InChIKeyUMOUJDYMYCEROQ-UHFFFAOYSA-N
MW246.14 g/mol
LogP2.83
Rot. Bonds2

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

4-[(2,3-dichlorophenyl)methyl]morpholine (PubChem CID 782574) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is 4-[(2,3-dichlorophenyl)methyl]morpholine.

Molecular Properties

Compound Name4-[(2,3-dichlorophenyl)methyl]morpholine
PubChem CID782574
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name4-[(2,3-dichlorophenyl)methyl]morpholine
SMILESClc1cccc(CN2CCOCC2)c1Cl
InChIInChI=1S/C11H13Cl2NO/c12-10-3-1-2-9(11(10)13)8-14-4-6-15-7-5-14/h1-3H,4-8H2
InChIKeyUMOUJDYMYCEROQ-UHFFFAOYSA-N
XLogP2.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dichlorophenyl)methyl]morpholine?
The IUPAC name of 4-[(2,3-dichlorophenyl)methyl]morpholine (CID 782574) is 4-[(2,3-dichlorophenyl)methyl]morpholine.
What is the SMILES notation for 4-[(2,3-dichlorophenyl)methyl]morpholine?
The canonical SMILES for 4-[(2,3-dichlorophenyl)methyl]morpholine is Clc1cccc(CN2CCOCC2)c1Cl.
What is the InChIKey of 4-[(2,3-dichlorophenyl)methyl]morpholine?
The InChIKey is UMOUJDYMYCEROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c12-10-3-1-2-9(11(10)13)8-14-4-6-15-7-5-14/h1-3H,4-8H2.
What are the key properties of 4-[(2,3-dichlorophenyl)methyl]morpholine?
4-[(2,3-dichlorophenyl)methyl]morpholine has a molecular weight of 246.14 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dichlorophenyl)methyl]morpholine is sourced from PubChem (CID 782574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).