2-[2-(3-bromophenoxy)ethoxy]-N-ethylethanamine

C12H18BrNO2 — CID 62337630

IUPAC2-[2-(3-bromophenoxy)ethoxy]-N-ethylethanamine
SMILESCCNCCOCCOc1cccc(Br)c1
InChIInChI=1S/C12H18BrNO2/c1-2-14-6-7-15-8-9-16-12-5-3-4-11(13)10-12/h3-5,10,14H,2,6-9H2,1H3
InChIKeyLMUARHZVMWJWFS-UHFFFAOYSA-N
MW288.18 g/mol
LogP2.45
Rot. Bonds8

About 2-[2-(3-bromophenoxy)ethoxy]-N-ethylethanamine

2-[2-(3-bromophenoxy)ethoxy]-N-ethylethanamine (PubChem CID 62337630) has the molecular formula C12H18BrNO2 and a molecular weight of 288.18 g/mol. Its IUPAC name is 2-[2-(3-bromophenoxy)ethoxy]-N-ethylethanamine.

Molecular Properties

Compound Name2-[2-(3-bromophenoxy)ethoxy]-N-ethylethanamine
PubChem CID62337630
Molecular FormulaC12H18BrNO2
Molecular Weight288.18 g/mol
Exact Mass287.05
IUPAC Name2-[2-(3-bromophenoxy)ethoxy]-N-ethylethanamine
SMILESCCNCCOCCOc1cccc(Br)c1
InChIInChI=1S/C12H18BrNO2/c1-2-14-6-7-15-8-9-16-12-5-3-4-11(13)10-12/h3-5,10,14H,2,6-9H2,1H3
InChIKeyLMUARHZVMWJWFS-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 52.45
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

N-ethyl-2-[2-(3-methylphenoxy)ethoxy]ethanamine
CID 82353109
1-bromo-3-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]benzene
CID 2899232
1-bromo-3-[2-(2-methoxyethoxy)ethoxy]benzene;ethane
CID 144931224
N-[2-(3-bromophenoxy)ethyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 114467776
1-bromo-3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]benzene
CID 103404159
1-bromo-3-[3-(2-methoxyethoxy)propoxy]benzene
CID 103409891
N-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]butan-1-amine
CID 2299444
2-(3-bromophenoxy)-N-[(1-ethylcyclopropyl)methyl]ethanamine
CID 114099923
4-bromo-N-[2-(3-bromophenoxy)ethyl]butan-1-amine
CID 106844841
N-[2-(3-bromophenoxy)ethyl]butan-1-amine;oxalic acid
CID 2924091
1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 55327692
N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine
CID 62450058

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenoxy)ethoxy]-N-ethylethanamine?
The IUPAC name of 2-[2-(3-bromophenoxy)ethoxy]-N-ethylethanamine (CID 62337630) is 2-[2-(3-bromophenoxy)ethoxy]-N-ethylethanamine.
What is the SMILES notation for 2-[2-(3-bromophenoxy)ethoxy]-N-ethylethanamine?
The canonical SMILES for 2-[2-(3-bromophenoxy)ethoxy]-N-ethylethanamine is CCNCCOCCOc1cccc(Br)c1.
What is the InChIKey of 2-[2-(3-bromophenoxy)ethoxy]-N-ethylethanamine?
The InChIKey is LMUARHZVMWJWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-2-14-6-7-15-8-9-16-12-5-3-4-11(13)10-12/h3-5,10,14H,2,6-9H2,1H3.
What are the key properties of 2-[2-(3-bromophenoxy)ethoxy]-N-ethylethanamine?
2-[2-(3-bromophenoxy)ethoxy]-N-ethylethanamine has a molecular weight of 288.18 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenoxy)ethoxy]-N-ethylethanamine is sourced from PubChem (CID 62337630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).