2-(3-bromo-2,4-dimethoxyphenyl)morpholine

C12H16BrNO3 — CID 117486500

IUPAC2-(3-bromo-2,4-dimethoxyphenyl)morpholine
SMILESCOc1ccc(C2CNCCO2)c(OC)c1Br
InChIInChI=1S/C12H16BrNO3/c1-15-9-4-3-8(12(16-2)11(9)13)10-7-14-5-6-17-10/h3-4,10,14H,5-7H2,1-2H3
InChIKeyUWPKJZSLKPDSRR-UHFFFAOYSA-N
MW302.17 g/mol
LogP2.13
Rot. Bonds3

About 2-(3-bromo-2,4-dimethoxyphenyl)morpholine

2-(3-bromo-2,4-dimethoxyphenyl)morpholine (PubChem CID 117486500) has the molecular formula C12H16BrNO3 and a molecular weight of 302.17 g/mol. Its IUPAC name is 2-(3-bromo-2,4-dimethoxyphenyl)morpholine.

Molecular Properties

Compound Name2-(3-bromo-2,4-dimethoxyphenyl)morpholine
PubChem CID117486500
Molecular FormulaC12H16BrNO3
Molecular Weight302.17 g/mol
Exact Mass301.03
IUPAC Name2-(3-bromo-2,4-dimethoxyphenyl)morpholine
SMILESCOc1ccc(C2CNCCO2)c(OC)c1Br
InChIInChI=1S/C12H16BrNO3/c1-15-9-4-3-8(12(16-2)11(9)13)10-7-14-5-6-17-10/h3-4,10,14H,5-7H2,1-2H3
InChIKeyUWPKJZSLKPDSRR-UHFFFAOYSA-N
XLogP2.13
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-bromo-2,4-dimethoxyphenyl)morpholine with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-ethoxy-3,4-dimethoxyphenyl)morpholine
CID 117421767
2-(7-methoxy-1H-indol-4-yl)morpholine
CID 115004261
2-(7-methoxy-2-methyl-1-benzofuran-4-yl)morpholine
CID 82622926
2-(2-methoxy-4-methylphenyl)morpholine
CID 82611084
2-(3-methoxy-2,4-dimethylphenyl)morpholine
CID 117316054
2,3-dimethoxy-4-morpholin-2-ylbenzaldehyde
CID 117380901
2-(2-fluoro-3,6-dimethoxyphenyl)morpholine
CID 84800876
2-(3-bromo-2-methoxy-5-methylphenyl)morpholine
CID 115004626
2-(5-fluoro-2,3-dimethoxyphenyl)morpholine
CID 117354893
4-bromo-2-methoxy-6-morpholin-2-ylphenol
CID 117464726
2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)morpholine
CID 117467306
2-(2-chloro-4,5-dimethoxyphenyl)morpholine
CID 117397861

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,4-dimethoxyphenyl)morpholine?
The IUPAC name of 2-(3-bromo-2,4-dimethoxyphenyl)morpholine (CID 117486500) is 2-(3-bromo-2,4-dimethoxyphenyl)morpholine.
What is the SMILES notation for 2-(3-bromo-2,4-dimethoxyphenyl)morpholine?
The canonical SMILES for 2-(3-bromo-2,4-dimethoxyphenyl)morpholine is COc1ccc(C2CNCCO2)c(OC)c1Br.
What is the InChIKey of 2-(3-bromo-2,4-dimethoxyphenyl)morpholine?
The InChIKey is UWPKJZSLKPDSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3/c1-15-9-4-3-8(12(16-2)11(9)13)10-7-14-5-6-17-10/h3-4,10,14H,5-7H2,1-2H3.
What are the key properties of 2-(3-bromo-2,4-dimethoxyphenyl)morpholine?
2-(3-bromo-2,4-dimethoxyphenyl)morpholine has a molecular weight of 302.17 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,4-dimethoxyphenyl)morpholine is sourced from PubChem (CID 117486500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).