4-[2-(2-bromophenoxy)ethyl]morpholine;oxalic acid

C14H18BrNO6 — CID 2847188

IUPAC4-[2-(2-bromophenoxy)ethyl]morpholine;oxalic acid
SMILESBrc1ccccc1OCCN1CCOCC1.O=C(O)C(=O)O
InChIInChI=1S/C12H16BrNO2.C2H2O4/c13-11-3-1-2-4-12(11)16-10-7-14-5-8-15-9-6-14;3-1(4)2(5)6/h1-4H,5-10H2;(H,3,4)(H,5,6)
InChIKeyFFXPNNRUFUZEAF-UHFFFAOYSA-N
MW376.20 g/mol
LogP1.32
Rot. Bonds4

About 4-[2-(2-bromophenoxy)ethyl]morpholine;oxalic acid

4-[2-(2-bromophenoxy)ethyl]morpholine;oxalic acid (PubChem CID 2847188) has the molecular formula C14H18BrNO6 and a molecular weight of 376.20 g/mol. Its IUPAC name is 4-[2-(2-bromophenoxy)ethyl]morpholine;oxalic acid.

Molecular Properties

Compound Name4-[2-(2-bromophenoxy)ethyl]morpholine;oxalic acid
PubChem CID2847188
Molecular FormulaC14H18BrNO6
Molecular Weight376.20 g/mol
Exact Mass375.03
IUPAC Name4-[2-(2-bromophenoxy)ethyl]morpholine;oxalic acid
SMILESBrc1ccccc1OCCN1CCOCC1.O=C(O)C(=O)O
InChIInChI=1S/C12H16BrNO2.C2H2O4/c13-11-3-1-2-4-12(11)16-10-7-14-5-8-15-9-6-14;3-1(4)2(5)6/h1-4H,5-10H2;(H,3,4)(H,5,6)
InChIKeyFFXPNNRUFUZEAF-UHFFFAOYSA-N
XLogP1.32
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.20
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-(4-Bromophenoxy)ethyl)morpholine
CID 2053815
2-(4-Bromophenoxy)-1-morpholin-4-ylethanone
CID 674921
2-(Morpholin-4-yl)-2-oxoethyl (4-bromophenoxy)acetate
CID 1505704
[2-(3-Bromophenoxy)ethyl]dimethylamine oxalate
CID 2935427
4-[5-(4-Bromophenoxy)pentyl]morpholine;oxalic acid
CID 16187884
4-[5-(2-Bromophenoxy)pentyl]morpholine
CID 16188843
4-(3-(2-Bromophenoxy)propyl)morpholine
CID 2057833
2-(Piperidin-1-YL)ethyl 2-(4-bromophenoxy)acetate hydrochloride
CID 23724247
4-{2-[2-(4-Bromophenoxy)ethoxy]ethyl}morpholine
CID 2245253
1-[3-(2-Bromophenoxy)propyl]pyrrolidine oxalate
CID 2843797
1-[4-(4-Bromophenoxy)butyl]-4-methylpiperazine oxalate
CID 2884952
1-{4-[3-(4-Bromo-phenoxy)-2-hydroxy-propyl]-piperazin-1-yl}-ethanone
CID 2899203

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-bromophenoxy)ethyl]morpholine;oxalic acid?
The IUPAC name of 4-[2-(2-bromophenoxy)ethyl]morpholine;oxalic acid (CID 2847188) is 4-[2-(2-bromophenoxy)ethyl]morpholine;oxalic acid.
What is the SMILES notation for 4-[2-(2-bromophenoxy)ethyl]morpholine;oxalic acid?
The canonical SMILES for 4-[2-(2-bromophenoxy)ethyl]morpholine;oxalic acid is Brc1ccccc1OCCN1CCOCC1.O=C(O)C(=O)O.
What is the InChIKey of 4-[2-(2-bromophenoxy)ethyl]morpholine;oxalic acid?
The InChIKey is FFXPNNRUFUZEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2.C2H2O4/c13-11-3-1-2-4-12(11)16-10-7-14-5-8-15-9-6-14;3-1(4)2(5)6/h1-4H,5-10H2;(H,3,4)(H,5,6).
What are the key properties of 4-[2-(2-bromophenoxy)ethyl]morpholine;oxalic acid?
4-[2-(2-bromophenoxy)ethyl]morpholine;oxalic acid has a molecular weight of 376.20 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-bromophenoxy)ethyl]morpholine;oxalic acid is sourced from PubChem (CID 2847188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).