4-[(3-bromo-4-fluorophenyl)methyl]-2,6-dimethylmorpholine

C13H17BrFNO — CID 23736353

IUPAC4-[(3-bromo-4-fluorophenyl)methyl]-2,6-dimethylmorpholine
SMILESCC1CN(Cc2ccc(F)c(Br)c2)CC(C)O1
InChIInChI=1S/C13H17BrFNO/c1-9-6-16(7-10(2)17-9)8-11-3-4-13(15)12(14)5-11/h3-5,9-10H,6-8H2,1-2H3
InChIKeyJRPXNATZNKCAPT-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.20
Rot. Bonds2

About 4-[(3-bromo-4-fluorophenyl)methyl]-2,6-dimethylmorpholine

4-[(3-bromo-4-fluorophenyl)methyl]-2,6-dimethylmorpholine (PubChem CID 23736353) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is 4-[(3-bromo-4-fluorophenyl)methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[(3-bromo-4-fluorophenyl)methyl]-2,6-dimethylmorpholine
PubChem CID23736353
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC Name4-[(3-bromo-4-fluorophenyl)methyl]-2,6-dimethylmorpholine
SMILESCC1CN(Cc2ccc(F)c(Br)c2)CC(C)O1
InChIInChI=1S/C13H17BrFNO/c1-9-6-16(7-10(2)17-9)8-11-3-4-13(15)12(14)5-11/h3-5,9-10H,6-8H2,1-2H3
InChIKeyJRPXNATZNKCAPT-UHFFFAOYSA-N
XLogP3.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[(3-bromo-4-fluorophenyl)methyl]-2,6-dimethylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-4-fluorophenyl)methyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[(3-bromo-4-fluorophenyl)methyl]-2,6-dimethylmorpholine (CID 23736353) is 4-[(3-bromo-4-fluorophenyl)methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[(3-bromo-4-fluorophenyl)methyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[(3-bromo-4-fluorophenyl)methyl]-2,6-dimethylmorpholine is CC1CN(Cc2ccc(F)c(Br)c2)CC(C)O1.
What is the InChIKey of 4-[(3-bromo-4-fluorophenyl)methyl]-2,6-dimethylmorpholine?
The InChIKey is JRPXNATZNKCAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO/c1-9-6-16(7-10(2)17-9)8-11-3-4-13(15)12(14)5-11/h3-5,9-10H,6-8H2,1-2H3.
What are the key properties of 4-[(3-bromo-4-fluorophenyl)methyl]-2,6-dimethylmorpholine?
4-[(3-bromo-4-fluorophenyl)methyl]-2,6-dimethylmorpholine has a molecular weight of 302.19 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-4-fluorophenyl)methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 23736353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).