4-[2-[2-(4-bromophenoxy)ethoxy]ethyl]morpholine

C14H20BrNO3 — CID 2245253

IUPAC4-[2-[2-(4-bromophenoxy)ethoxy]ethyl]morpholine
SMILESBrc1ccc(OCCOCCN2CCOCC2)cc1
InChIInChI=1S/C14H20BrNO3/c15-13-1-3-14(4-2-13)19-12-11-18-10-7-16-5-8-17-9-6-16/h1-4H,5-12H2
InChIKeyKDZZYOFGDVYKIG-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.18
Rot. Bonds7

About 4-[2-[2-(4-bromophenoxy)ethoxy]ethyl]morpholine

4-[2-[2-(4-bromophenoxy)ethoxy]ethyl]morpholine (PubChem CID 2245253) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is 4-[2-[2-(4-bromophenoxy)ethoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[2-(4-bromophenoxy)ethoxy]ethyl]morpholine
PubChem CID2245253
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Name4-[2-[2-(4-bromophenoxy)ethoxy]ethyl]morpholine
SMILESBrc1ccc(OCCOCCN2CCOCC2)cc1
InChIInChI=1S/C14H20BrNO3/c15-13-1-3-14(4-2-13)19-12-11-18-10-7-16-5-8-17-9-6-16/h1-4H,5-12H2
InChIKeyKDZZYOFGDVYKIG-UHFFFAOYSA-N
XLogP2.18
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.18
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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Related Compounds

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
4-(4-Bromo-phenoxymethyl)-1-(3-fluoro-propyl)-piperidine
CID 10568394
4-(4-Bromo-phenoxymethyl)-1-cyclopropylmethyl-piperidine
CID 44290360
2-(Morpholin-4-yl)-2-oxoethyl (4-bromophenoxy)acetate
CID 1505704
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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(4-bromophenoxy)ethoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[2-(4-bromophenoxy)ethoxy]ethyl]morpholine (CID 2245253) is 4-[2-[2-(4-bromophenoxy)ethoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[2-(4-bromophenoxy)ethoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[2-(4-bromophenoxy)ethoxy]ethyl]morpholine is Brc1ccc(OCCOCCN2CCOCC2)cc1.
What is the InChIKey of 4-[2-[2-(4-bromophenoxy)ethoxy]ethyl]morpholine?
The InChIKey is KDZZYOFGDVYKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c15-13-1-3-14(4-2-13)19-12-11-18-10-7-16-5-8-17-9-6-16/h1-4H,5-12H2.
What are the key properties of 4-[2-[2-(4-bromophenoxy)ethoxy]ethyl]morpholine?
4-[2-[2-(4-bromophenoxy)ethoxy]ethyl]morpholine has a molecular weight of 330.22 g/mol, XLogP of 2.18, 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-bromophenoxy)ethoxy]ethyl]morpholine is sourced from PubChem (CID 2245253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).