4-[2-[2-(3-bromophenoxy)ethoxy]ethyl]morpholin-4-ium

C14H21BrNO3+ — CID 2296505

IUPAC4-[2-[2-(3-bromophenoxy)ethoxy]ethyl]morpholin-4-ium
SMILESBrc1cccc(OCCOCC[NH+]2CCOCC2)c1
InChIInChI=1S/C14H20BrNO3/c15-13-2-1-3-14(12-13)19-11-10-18-9-6-16-4-7-17-8-5-16/h1-3,12H,4-11H2/p+1
InChIKeyBYCFVQQRAROSFI-UHFFFAOYSA-O
MW331.23 g/mol
LogP0.76
Rot. Bonds7

About 4-[2-[2-(3-bromophenoxy)ethoxy]ethyl]morpholin-4-ium

4-[2-[2-(3-bromophenoxy)ethoxy]ethyl]morpholin-4-ium (PubChem CID 2296505) has the molecular formula C14H21BrNO3+ and a molecular weight of 331.23 g/mol. Its IUPAC name is 4-[2-[2-(3-bromophenoxy)ethoxy]ethyl]morpholin-4-ium.

Molecular Properties

Compound Name4-[2-[2-(3-bromophenoxy)ethoxy]ethyl]morpholin-4-ium
PubChem CID2296505
Molecular FormulaC14H21BrNO3+
Molecular Weight331.23 g/mol
Exact Mass330.07
IUPAC Name4-[2-[2-(3-bromophenoxy)ethoxy]ethyl]morpholin-4-ium
SMILESBrc1cccc(OCCOCC[NH+]2CCOCC2)c1
InChIInChI=1S/C14H20BrNO3/c15-13-2-1-3-14(12-13)19-11-10-18-9-6-16-4-7-17-8-5-16/h1-3,12H,4-11H2/p+1
InChIKeyBYCFVQQRAROSFI-UHFFFAOYSA-O
XLogP0.76
TPSA32.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.23
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(3-bromophenoxy)ethoxy]ethyl]-4-methylpiperazine-1,4-diium
CID 2581089
1-[2-(3-bromophenoxy)ethyl]piperazine-1,4-diium
CID 7244689
4-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]morpholin-4-ium
CID 2298140
4-[2-(3-bromophenoxy)ethoxy]oxane
CID 54970855
1-bromo-3-[2-(2-methoxyethoxy)ethoxy]benzene;ethane
CID 144931224
4-[3-(3-chlorophenoxy)propyl]morpholin-4-ium chloride
CID 110175302
1-[4-(3-bromophenoxy)butyl]piperazine-1,4-diium
CID 2195614
1-[2-[2-(3-methylphenoxy)ethoxy]ethyl]azepan-1-ium
CID 2183757
1-bromo-3-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]benzene
CID 2899232
1-bromo-3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]benzene
CID 103404159
3-[2-(3-bromophenoxy)ethoxy]phenol
CID 39445112
N-[2-(3-bromophenoxy)ethyl]morpholin-4-amine
CID 83021921

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(3-bromophenoxy)ethoxy]ethyl]morpholin-4-ium?
The IUPAC name of 4-[2-[2-(3-bromophenoxy)ethoxy]ethyl]morpholin-4-ium (CID 2296505) is 4-[2-[2-(3-bromophenoxy)ethoxy]ethyl]morpholin-4-ium.
What is the SMILES notation for 4-[2-[2-(3-bromophenoxy)ethoxy]ethyl]morpholin-4-ium?
The canonical SMILES for 4-[2-[2-(3-bromophenoxy)ethoxy]ethyl]morpholin-4-ium is Brc1cccc(OCCOCC[NH+]2CCOCC2)c1.
What is the InChIKey of 4-[2-[2-(3-bromophenoxy)ethoxy]ethyl]morpholin-4-ium?
The InChIKey is BYCFVQQRAROSFI-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H20BrNO3/c15-13-2-1-3-14(12-13)19-11-10-18-9-6-16-4-7-17-8-5-16/h1-3,12H,4-11H2/p+1.
What are the key properties of 4-[2-[2-(3-bromophenoxy)ethoxy]ethyl]morpholin-4-ium?
4-[2-[2-(3-bromophenoxy)ethoxy]ethyl]morpholin-4-ium has a molecular weight of 331.23 g/mol, XLogP of 0.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(3-bromophenoxy)ethoxy]ethyl]morpholin-4-ium is sourced from PubChem (CID 2296505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).