N-[2-(2-bromoethoxy)ethyl]-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine

C13H28BrNO4 — CID 114263721

IUPACN-[2-(2-bromoethoxy)ethyl]-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
SMILESCCN(CCOCCBr)CCOCCOCCOC
InChIInChI=1S/C13H28BrNO4/c1-3-15(5-8-17-7-4-14)6-9-18-12-13-19-11-10-16-2/h3-13H2,1-2H3
InChIKeyKCYJMCRDPQJABS-UHFFFAOYSA-N
MW342.27 g/mol
LogP1.40
Rot. Bonds15

About N-[2-(2-bromoethoxy)ethyl]-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine

N-[2-(2-bromoethoxy)ethyl]-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine (PubChem CID 114263721) has the molecular formula C13H28BrNO4 and a molecular weight of 342.27 g/mol. Its IUPAC name is N-[2-(2-bromoethoxy)ethyl]-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine.

Molecular Properties

Compound NameN-[2-(2-bromoethoxy)ethyl]-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
PubChem CID114263721
Molecular FormulaC13H28BrNO4
Molecular Weight342.27 g/mol
Exact Mass341.12
IUPAC NameN-[2-(2-bromoethoxy)ethyl]-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
SMILESCCN(CCOCCBr)CCOCCOCCOC
InChIInChI=1S/C13H28BrNO4/c1-3-15(5-8-17-7-4-14)6-9-18-12-13-19-11-10-16-2/h3-13H2,1-2H3
InChIKeyKCYJMCRDPQJABS-UHFFFAOYSA-N
XLogP1.40
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-ethyl-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine
CID 103184049
N-[2-(2-chloroethoxy)ethyl]-N-ethyl-2-methoxyethanamine
CID 63666499
N-[2-[bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-(2-methoxyethyl)amino]ethyl-(2-methoxyethyl)amino]ethyl]amino]ethyl]-N',N'-bis[2-[2-[bis(2-methoxyethyl)amino]ethyl-(2-methoxyethyl)amino]ethyl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-(2-methoxyethyl)amino]ethyl]amino]ethyl-(2-methoxyethyl)amino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 140767739
boranuide;2-(2-methoxyethoxy)-N,N-bis[2-(2-methoxyethoxy)ethyl]ethanamine;rubidium(1+)
CID 139243294
3-bromo-N-ethyl-N-(2-propoxyethyl)propan-1-amine
CID 106457825
N-ethyl-N-(2-hexoxyethyl)-2-methoxyethanamine
CID 145404707
ethane;N-ethyl-2-methoxy-N-[2-[2-[2-[2-(2,2,4,4-tetramethylhexoxy)ethoxy]ethoxy]ethoxy]ethyl]ethanamine
CID 177319371
N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 59535628
ethane;N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 143133671
2-[bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]ethanol
CID 130419260
N'-ethyl-N'-[2-(3-methoxypropoxy)ethyl]propane-1,3-diamine
CID 103178048
2-[2-[ethyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol
CID 54156133

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoethoxy)ethyl]-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine?
The IUPAC name of N-[2-(2-bromoethoxy)ethyl]-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine (CID 114263721) is N-[2-(2-bromoethoxy)ethyl]-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine.
What is the SMILES notation for N-[2-(2-bromoethoxy)ethyl]-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine?
The canonical SMILES for N-[2-(2-bromoethoxy)ethyl]-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine is CCN(CCOCCBr)CCOCCOCCOC.
What is the InChIKey of N-[2-(2-bromoethoxy)ethyl]-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine?
The InChIKey is KCYJMCRDPQJABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28BrNO4/c1-3-15(5-8-17-7-4-14)6-9-18-12-13-19-11-10-16-2/h3-13H2,1-2H3.
What are the key properties of N-[2-(2-bromoethoxy)ethyl]-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine?
N-[2-(2-bromoethoxy)ethyl]-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine has a molecular weight of 342.27 g/mol, XLogP of 1.40, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoethoxy)ethyl]-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine is sourced from PubChem (CID 114263721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).