4-[3-(2-bromophenoxy)propyl]morpholine

C13H18BrNO2 — CID 2057833

IUPAC4-[3-(2-bromophenoxy)propyl]morpholine
SMILESBrc1ccccc1OCCCN1CCOCC1
InChIInChI=1S/C13H18BrNO2/c14-12-4-1-2-5-13(12)17-9-3-6-15-7-10-16-11-8-15/h1-2,4-5H,3,6-11H2
InChIKeyHSKOYGRUWIFMGW-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.55
Rot. Bonds5

About 4-[3-(2-bromophenoxy)propyl]morpholine

4-[3-(2-bromophenoxy)propyl]morpholine (PubChem CID 2057833) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 4-[3-(2-bromophenoxy)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(2-bromophenoxy)propyl]morpholine
PubChem CID2057833
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name4-[3-(2-bromophenoxy)propyl]morpholine
SMILESBrc1ccccc1OCCCN1CCOCC1
InChIInChI=1S/C13H18BrNO2/c14-12-4-1-2-5-13(12)17-9-3-6-15-7-10-16-11-8-15/h1-2,4-5H,3,6-11H2
InChIKeyHSKOYGRUWIFMGW-UHFFFAOYSA-N
XLogP2.55
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Pramoxine
CID 4886
Pramoxine Hydrochloride
CID 73957
4-(2-(4-Bromophenoxy)ethyl)morpholine
CID 2053815
1-[2-(2-Bromophenoxy)ethyl]pyrrolidine
CID 867317
2-(4-Bromophenoxy)-1-morpholin-4-ylethanone
CID 674921
N-(2-(p-bromophenoxy)ethyl)pyrrolidine
CID 70657
2-(2-Bromophenoxy)-N,N-dimethylethanamine
CID 888311
4-Isopropyl-2-(phenoxymethyl)morpholine
CID 12226582
1-[4-(4-Bromophenoxy)butyl]piperidine
CID 2057710
1-[4-(2-Bromophenoxy)butyl]piperidine
CID 2304735
4-[2-(2-Bromophenoxy)ethyl]morpholine oxalate
CID 2847188
4-[5-(2-Bromophenoxy)pentyl]morpholine
CID 16188843

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-bromophenoxy)propyl]morpholine?
The IUPAC name of 4-[3-(2-bromophenoxy)propyl]morpholine (CID 2057833) is 4-[3-(2-bromophenoxy)propyl]morpholine.
What is the SMILES notation for 4-[3-(2-bromophenoxy)propyl]morpholine?
The canonical SMILES for 4-[3-(2-bromophenoxy)propyl]morpholine is Brc1ccccc1OCCCN1CCOCC1.
What is the InChIKey of 4-[3-(2-bromophenoxy)propyl]morpholine?
The InChIKey is HSKOYGRUWIFMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c14-12-4-1-2-5-13(12)17-9-3-6-15-7-10-16-11-8-15/h1-2,4-5H,3,6-11H2.
What are the key properties of 4-[3-(2-bromophenoxy)propyl]morpholine?
4-[3-(2-bromophenoxy)propyl]morpholine has a molecular weight of 300.20 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-bromophenoxy)propyl]morpholine is sourced from PubChem (CID 2057833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).