bis[2-(3-bromophenyl)ethoxy]-oxoazanium

C16H16Br2NO3+ — CID 89158378

IUPACbis[2-(3-bromophenyl)ethoxy]-oxoazanium
SMILESO=[N+](OCCc1cccc(Br)c1)OCCc1cccc(Br)c1
InChIInChI=1S/C16H16Br2NO3/c17-15-5-1-3-13(11-15)7-9-21-19(20)22-10-8-14-4-2-6-16(18)12-14/h1-6,11-12H,7-10H2/q+1
InChIKeyAKQDWPZLMBRMMM-UHFFFAOYSA-N
MW430.12 g/mol
LogP4.64
Rot. Bonds8

About bis[2-(3-bromophenyl)ethoxy]-oxoazanium

bis[2-(3-bromophenyl)ethoxy]-oxoazanium (PubChem CID 89158378) has the molecular formula C16H16Br2NO3+ and a molecular weight of 430.12 g/mol. Its IUPAC name is bis[2-(3-bromophenyl)ethoxy]-oxoazanium.

Molecular Properties

Compound Namebis[2-(3-bromophenyl)ethoxy]-oxoazanium
PubChem CID89158378
Molecular FormulaC16H16Br2NO3+
Molecular Weight430.12 g/mol
Exact Mass427.95
IUPAC Namebis[2-(3-bromophenyl)ethoxy]-oxoazanium
SMILESO=[N+](OCCc1cccc(Br)c1)OCCc1cccc(Br)c1
InChIInChI=1S/C16H16Br2NO3/c17-15-5-1-3-13(11-15)7-9-21-19(20)22-10-8-14-4-2-6-16(18)12-14/h1-6,11-12H,7-10H2/q+1
InChIKeyAKQDWPZLMBRMMM-UHFFFAOYSA-N
XLogP4.64
TPSA38.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.12
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-bromo-3-[2-(methoxymethoxy)ethyl]benzene
CID 22314975
2-(3-bromophenyl)ethanol
CID 2734090
2-(3-bromophenyl)ethoxy-tert-butyl-dimethylsilane
CID 11515183
1-bromo-3-(6-phenylhexyl)benzene
CID 145197049
(R)-2-(3-bromophenyl)ethanesulfinamide
CID 115046249
3-(3-bromophenyl)propanamide
CID 20823841
3-(3-bromophenyl)propanoyl chloride
CID 12607235
4-[2-(3-bromophenyl)ethoxy]piperidine
CID 115070549
5-O-[2-(3-bromophenyl)ethyl] 1-O-butyl pentanedioate
CID 91727895
1-bromo-3-(3,3-dimethylbutyl)benzene
CID 58974913
N-[2-(3-bromophenyl)ethyl]hydroxylamine
CID 105469369
4-bromo-1-[(3-bromophenyl)methoxy]-2-nitrobenzene
CID 65431310

Frequently Asked Questions

What is the IUPAC name of bis[2-(3-bromophenyl)ethoxy]-oxoazanium?
The IUPAC name of bis[2-(3-bromophenyl)ethoxy]-oxoazanium (CID 89158378) is bis[2-(3-bromophenyl)ethoxy]-oxoazanium.
What is the SMILES notation for bis[2-(3-bromophenyl)ethoxy]-oxoazanium?
The canonical SMILES for bis[2-(3-bromophenyl)ethoxy]-oxoazanium is O=[N+](OCCc1cccc(Br)c1)OCCc1cccc(Br)c1.
What is the InChIKey of bis[2-(3-bromophenyl)ethoxy]-oxoazanium?
The InChIKey is AKQDWPZLMBRMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2NO3/c17-15-5-1-3-13(11-15)7-9-21-19(20)22-10-8-14-4-2-6-16(18)12-14/h1-6,11-12H,7-10H2/q+1.
What are the key properties of bis[2-(3-bromophenyl)ethoxy]-oxoazanium?
bis[2-(3-bromophenyl)ethoxy]-oxoazanium has a molecular weight of 430.12 g/mol, XLogP of 4.64, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(3-bromophenyl)ethoxy]-oxoazanium is sourced from PubChem (CID 89158378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).