4-[3-(4-bromophenoxy)propyl]morpholine;oxalic acid

C15H20BrNO6 — CID 2843796

IUPAC4-[3-(4-bromophenoxy)propyl]morpholine;oxalic acid
SMILESBrc1ccc(OCCCN2CCOCC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C13H18BrNO2.C2H2O4/c14-12-2-4-13(5-3-12)17-9-1-6-15-7-10-16-11-8-15;3-1(4)2(5)6/h2-5H,1,6-11H2;(H,3,4)(H,5,6)
InChIKeyOAZIDVVIFJMXJN-UHFFFAOYSA-N
MW390.23 g/mol
LogP1.71
Rot. Bonds5

About 4-[3-(4-bromophenoxy)propyl]morpholine;oxalic acid

4-[3-(4-bromophenoxy)propyl]morpholine;oxalic acid (PubChem CID 2843796) has the molecular formula C15H20BrNO6 and a molecular weight of 390.23 g/mol. Its IUPAC name is 4-[3-(4-bromophenoxy)propyl]morpholine;oxalic acid.

Molecular Properties

Compound Name4-[3-(4-bromophenoxy)propyl]morpholine;oxalic acid
PubChem CID2843796
Molecular FormulaC15H20BrNO6
Molecular Weight390.23 g/mol
Exact Mass389.05
IUPAC Name4-[3-(4-bromophenoxy)propyl]morpholine;oxalic acid
SMILESBrc1ccc(OCCCN2CCOCC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C13H18BrNO2.C2H2O4/c14-12-2-4-13(5-3-12)17-9-1-6-15-7-10-16-11-8-15;3-1(4)2(5)6/h2-5H,1,6-11H2;(H,3,4)(H,5,6)
InChIKeyOAZIDVVIFJMXJN-UHFFFAOYSA-N
XLogP1.71
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.23
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[6-(4-bromophenoxy)hexyl]piperidine;oxalic acid
CID 146051025
2-[4-(3-morpholin-4-ylpropoxy)phenyl]acetic acid
CID 22241707
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
1-[2-(4-bromophenoxy)ethyl]-4-[5-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]pentyl]piperazine
CID 56955385
4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]morpholine
CID 169006400
[4-(3-morpholin-4-ylpropoxy)phenyl]boronic acid
CID 67361956
4-[4-(3-morpholin-4-ylpropoxy)phenyl]oxane-4-carboxylic acid;hydrochloride
CID 68577604
2-(4-bromophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 888119
oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949666
4-(3-morpholin-4-ylpropoxy)benzonitrile
CID 2993836
1-[4-(4-bromophenoxy)butyl]-4-methylpiperazine
CID 2267460

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-bromophenoxy)propyl]morpholine;oxalic acid?
The IUPAC name of 4-[3-(4-bromophenoxy)propyl]morpholine;oxalic acid (CID 2843796) is 4-[3-(4-bromophenoxy)propyl]morpholine;oxalic acid.
What is the SMILES notation for 4-[3-(4-bromophenoxy)propyl]morpholine;oxalic acid?
The canonical SMILES for 4-[3-(4-bromophenoxy)propyl]morpholine;oxalic acid is Brc1ccc(OCCCN2CCOCC2)cc1.O=C(O)C(=O)O.
What is the InChIKey of 4-[3-(4-bromophenoxy)propyl]morpholine;oxalic acid?
The InChIKey is OAZIDVVIFJMXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2.C2H2O4/c14-12-2-4-13(5-3-12)17-9-1-6-15-7-10-16-11-8-15;3-1(4)2(5)6/h2-5H,1,6-11H2;(H,3,4)(H,5,6).
What are the key properties of 4-[3-(4-bromophenoxy)propyl]morpholine;oxalic acid?
4-[3-(4-bromophenoxy)propyl]morpholine;oxalic acid has a molecular weight of 390.23 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-bromophenoxy)propyl]morpholine;oxalic acid is sourced from PubChem (CID 2843796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).