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

C15H22BrNO3 — CID 2298058

IUPAC4-[2-[2-(4-bromo-2-methylphenoxy)ethoxy]ethyl]morpholine
SMILESCc1cc(Br)ccc1OCCOCCN1CCOCC1
InChIInChI=1S/C15H22BrNO3/c1-13-12-14(16)2-3-15(13)20-11-10-19-9-6-17-4-7-18-8-5-17/h2-3,12H,4-11H2,1H3
InChIKeyFGVUMEWKXFLTTR-UHFFFAOYSA-N
MW344.25 g/mol
LogP2.49
Rot. Bonds7

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

4-[2-[2-(4-bromo-2-methylphenoxy)ethoxy]ethyl]morpholine (PubChem CID 2298058) has the molecular formula C15H22BrNO3 and a molecular weight of 344.25 g/mol. Its IUPAC name is 4-[2-[2-(4-bromo-2-methylphenoxy)ethoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[2-(4-bromo-2-methylphenoxy)ethoxy]ethyl]morpholine
PubChem CID2298058
Molecular FormulaC15H22BrNO3
Molecular Weight344.25 g/mol
Exact Mass343.08
IUPAC Name4-[2-[2-(4-bromo-2-methylphenoxy)ethoxy]ethyl]morpholine
SMILESCc1cc(Br)ccc1OCCOCCN1CCOCC1
InChIInChI=1S/C15H22BrNO3/c1-13-12-14(16)2-3-15(13)20-11-10-19-9-6-17-4-7-18-8-5-17/h2-3,12H,4-11H2,1H3
InChIKeyFGVUMEWKXFLTTR-UHFFFAOYSA-N
XLogP2.49
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(4-bromo-2-methylphenoxy)ethoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[2-(4-bromo-2-methylphenoxy)ethoxy]ethyl]morpholine (CID 2298058) is 4-[2-[2-(4-bromo-2-methylphenoxy)ethoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[2-(4-bromo-2-methylphenoxy)ethoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[2-(4-bromo-2-methylphenoxy)ethoxy]ethyl]morpholine is Cc1cc(Br)ccc1OCCOCCN1CCOCC1.
What is the InChIKey of 4-[2-[2-(4-bromo-2-methylphenoxy)ethoxy]ethyl]morpholine?
The InChIKey is FGVUMEWKXFLTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO3/c1-13-12-14(16)2-3-15(13)20-11-10-19-9-6-17-4-7-18-8-5-17/h2-3,12H,4-11H2,1H3.
What are the key properties of 4-[2-[2-(4-bromo-2-methylphenoxy)ethoxy]ethyl]morpholine?
4-[2-[2-(4-bromo-2-methylphenoxy)ethoxy]ethyl]morpholine has a molecular weight of 344.25 g/mol, XLogP of 2.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(4-bromo-2-methylphenoxy)ethoxy]ethyl]morpholine is sourced from PubChem (CID 2298058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).