4-[3-chloro-2-(chloromethyl)phenyl]morpholine

C11H13Cl2NO — CID 28946203

IUPAC4-[3-chloro-2-(chloromethyl)phenyl]morpholine
SMILESClCc1c(Cl)cccc1N1CCOCC1
InChIInChI=1S/C11H13Cl2NO/c12-8-9-10(13)2-1-3-11(9)14-4-6-15-7-5-14/h1-3H,4-8H2
InChIKeyAFCUJGHZJQOPDA-UHFFFAOYSA-N
MW246.14 g/mol
LogP2.92
Rot. Bonds2

About 4-[3-chloro-2-(chloromethyl)phenyl]morpholine

4-[3-chloro-2-(chloromethyl)phenyl]morpholine (PubChem CID 28946203) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is 4-[3-chloro-2-(chloromethyl)phenyl]morpholine.

Molecular Properties

Compound Name4-[3-chloro-2-(chloromethyl)phenyl]morpholine
PubChem CID28946203
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name4-[3-chloro-2-(chloromethyl)phenyl]morpholine
SMILESClCc1c(Cl)cccc1N1CCOCC1
InChIInChI=1S/C11H13Cl2NO/c12-8-9-10(13)2-1-3-11(9)14-4-6-15-7-5-14/h1-3H,4-8H2
InChIKeyAFCUJGHZJQOPDA-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
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 4-[3-chloro-2-(chloromethyl)phenyl]morpholine?
The IUPAC name of 4-[3-chloro-2-(chloromethyl)phenyl]morpholine (CID 28946203) is 4-[3-chloro-2-(chloromethyl)phenyl]morpholine.
What is the SMILES notation for 4-[3-chloro-2-(chloromethyl)phenyl]morpholine?
The canonical SMILES for 4-[3-chloro-2-(chloromethyl)phenyl]morpholine is ClCc1c(Cl)cccc1N1CCOCC1.
What is the InChIKey of 4-[3-chloro-2-(chloromethyl)phenyl]morpholine?
The InChIKey is AFCUJGHZJQOPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c12-8-9-10(13)2-1-3-11(9)14-4-6-15-7-5-14/h1-3H,4-8H2.
What are the key properties of 4-[3-chloro-2-(chloromethyl)phenyl]morpholine?
4-[3-chloro-2-(chloromethyl)phenyl]morpholine has a molecular weight of 246.14 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-2-(chloromethyl)phenyl]morpholine is sourced from PubChem (CID 28946203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).