4-[2-(4-bromo-2-methylphenoxy)ethyl]morpholine

C13H18BrNO2 — CID 803049

IUPAC4-[2-(4-bromo-2-methylphenoxy)ethyl]morpholine
SMILESCc1cc(Br)ccc1OCCN1CCOCC1
InChIInChI=1S/C13H18BrNO2/c1-11-10-12(14)2-3-13(11)17-9-6-15-4-7-16-8-5-15/h2-3,10H,4-9H2,1H3
InChIKeyNBVHVRNKKPHBOU-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.47
Rot. Bonds4

About 4-[2-(4-bromo-2-methylphenoxy)ethyl]morpholine

4-[2-(4-bromo-2-methylphenoxy)ethyl]morpholine (PubChem CID 803049) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 4-[2-(4-bromo-2-methylphenoxy)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(4-bromo-2-methylphenoxy)ethyl]morpholine
PubChem CID803049
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name4-[2-(4-bromo-2-methylphenoxy)ethyl]morpholine
SMILESCc1cc(Br)ccc1OCCN1CCOCC1
InChIInChI=1S/C13H18BrNO2/c1-11-10-12(14)2-3-13(11)17-9-6-15-4-7-16-8-5-15/h2-3,10H,4-9H2,1H3
InChIKeyNBVHVRNKKPHBOU-UHFFFAOYSA-N
XLogP2.47
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[2-(4-bromo-2-methylphenoxy)ethyl]morpholine 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-[2-(4-bromo-2-methylphenoxy)ethyl]morpholine?
The IUPAC name of 4-[2-(4-bromo-2-methylphenoxy)ethyl]morpholine (CID 803049) is 4-[2-(4-bromo-2-methylphenoxy)ethyl]morpholine.
What is the SMILES notation for 4-[2-(4-bromo-2-methylphenoxy)ethyl]morpholine?
The canonical SMILES for 4-[2-(4-bromo-2-methylphenoxy)ethyl]morpholine is Cc1cc(Br)ccc1OCCN1CCOCC1.
What is the InChIKey of 4-[2-(4-bromo-2-methylphenoxy)ethyl]morpholine?
The InChIKey is NBVHVRNKKPHBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-11-10-12(14)2-3-13(11)17-9-6-15-4-7-16-8-5-15/h2-3,10H,4-9H2,1H3.
What are the key properties of 4-[2-(4-bromo-2-methylphenoxy)ethyl]morpholine?
4-[2-(4-bromo-2-methylphenoxy)ethyl]morpholine has a molecular weight of 300.20 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromo-2-methylphenoxy)ethyl]morpholine is sourced from PubChem (CID 803049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).