4-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]morpholine

C18H19BrClNO2 — CID 11188669

IUPAC4-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]morpholine
SMILESClc1ccc(COc2ccc(Br)cc2CN2CCOCC2)cc1
InChIInChI=1S/C18H19BrClNO2/c19-16-3-6-18(23-13-14-1-4-17(20)5-2-14)15(11-16)12-21-7-9-22-10-8-21/h1-6,11H,7-10,12-13H2
InChIKeyJUKUHNUKMFGLIK-UHFFFAOYSA-N
MW396.71 g/mol
LogP4.51
Rot. Bonds5

About 4-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]morpholine

4-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]morpholine (PubChem CID 11188669) has the molecular formula C18H19BrClNO2 and a molecular weight of 396.71 g/mol. Its IUPAC name is 4-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]morpholine
PubChem CID11188669
Molecular FormulaC18H19BrClNO2
Molecular Weight396.71 g/mol
Exact Mass395.03
IUPAC Name4-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]morpholine
SMILESClc1ccc(COc2ccc(Br)cc2CN2CCOCC2)cc1
InChIInChI=1S/C18H19BrClNO2/c19-16-3-6-18(23-13-14-1-4-17(20)5-2-14)15(11-16)12-21-7-9-22-10-8-21/h1-6,11H,7-10,12-13H2
InChIKeyJUKUHNUKMFGLIK-UHFFFAOYSA-N
XLogP4.51
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.71
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]morpholine?
The IUPAC name of 4-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]morpholine (CID 11188669) is 4-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]morpholine is Clc1ccc(COc2ccc(Br)cc2CN2CCOCC2)cc1.
What is the InChIKey of 4-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]morpholine?
The InChIKey is JUKUHNUKMFGLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClNO2/c19-16-3-6-18(23-13-14-1-4-17(20)5-2-14)15(11-16)12-21-7-9-22-10-8-21/h1-6,11H,7-10,12-13H2.
What are the key properties of 4-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]morpholine?
4-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]morpholine has a molecular weight of 396.71 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]morpholine is sourced from PubChem (CID 11188669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).