4-[1-(4-fluorophenyl)ethyl]-2-methylmorpholine

C13H18FNO — CID 42929038

IUPAC4-[1-(4-fluorophenyl)ethyl]-2-methylmorpholine
SMILESCC1CN(C(C)c2ccc(F)cc2)CCO1
InChIInChI=1S/C13H18FNO/c1-10-9-15(7-8-16-10)11(2)12-3-5-13(14)6-4-12/h3-6,10-11H,7-9H2,1-2H3
InChIKeyQQULBPAWSHVMCJ-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.61
Rot. Bonds2

About 4-[1-(4-fluorophenyl)ethyl]-2-methylmorpholine

4-[1-(4-fluorophenyl)ethyl]-2-methylmorpholine (PubChem CID 42929038) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)ethyl]-2-methylmorpholine.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)ethyl]-2-methylmorpholine
PubChem CID42929038
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name4-[1-(4-fluorophenyl)ethyl]-2-methylmorpholine
SMILESCC1CN(C(C)c2ccc(F)cc2)CCO1
InChIInChI=1S/C13H18FNO/c1-10-9-15(7-8-16-10)11(2)12-3-5-13(14)6-4-12/h3-6,10-11H,7-9H2,1-2H3
InChIKeyQQULBPAWSHVMCJ-UHFFFAOYSA-N
XLogP2.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)ethyl]-2-methylmorpholine?
The IUPAC name of 4-[1-(4-fluorophenyl)ethyl]-2-methylmorpholine (CID 42929038) is 4-[1-(4-fluorophenyl)ethyl]-2-methylmorpholine.
What is the SMILES notation for 4-[1-(4-fluorophenyl)ethyl]-2-methylmorpholine?
The canonical SMILES for 4-[1-(4-fluorophenyl)ethyl]-2-methylmorpholine is CC1CN(C(C)c2ccc(F)cc2)CCO1.
What is the InChIKey of 4-[1-(4-fluorophenyl)ethyl]-2-methylmorpholine?
The InChIKey is QQULBPAWSHVMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-10-9-15(7-8-16-10)11(2)12-3-5-13(14)6-4-12/h3-6,10-11H,7-9H2,1-2H3.
What are the key properties of 4-[1-(4-fluorophenyl)ethyl]-2-methylmorpholine?
4-[1-(4-fluorophenyl)ethyl]-2-methylmorpholine has a molecular weight of 223.29 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)ethyl]-2-methylmorpholine is sourced from PubChem (CID 42929038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).