2-[1-(2,5-dibromo-4-methoxyphenoxy)cyclobutyl]-N-ethylethanamine

C15H21Br2NO2 — CID 103274245

IUPAC2-[1-(2,5-dibromo-4-methoxyphenoxy)cyclobutyl]-N-ethylethanamine
SMILESCCNCCC1(Oc2cc(Br)c(OC)cc2Br)CCC1
InChIInChI=1S/C15H21Br2NO2/c1-3-18-8-7-15(5-4-6-15)20-14-10-11(16)13(19-2)9-12(14)17/h9-10,18H,3-8H2,1-2H3
InChIKeyBWWWUFMZMSNGIH-UHFFFAOYSA-N
MW407.15 g/mol
LogP4.52
Rot. Bonds7

About 2-[1-(2,5-dibromo-4-methoxyphenoxy)cyclobutyl]-N-ethylethanamine

2-[1-(2,5-dibromo-4-methoxyphenoxy)cyclobutyl]-N-ethylethanamine (PubChem CID 103274245) has the molecular formula C15H21Br2NO2 and a molecular weight of 407.15 g/mol. Its IUPAC name is 2-[1-(2,5-dibromo-4-methoxyphenoxy)cyclobutyl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[1-(2,5-dibromo-4-methoxyphenoxy)cyclobutyl]-N-ethylethanamine
PubChem CID103274245
Molecular FormulaC15H21Br2NO2
Molecular Weight407.15 g/mol
Exact Mass404.99
IUPAC Name2-[1-(2,5-dibromo-4-methoxyphenoxy)cyclobutyl]-N-ethylethanamine
SMILESCCNCCC1(Oc2cc(Br)c(OC)cc2Br)CCC1
InChIInChI=1S/C15H21Br2NO2/c1-3-18-8-7-15(5-4-6-15)20-14-10-11(16)13(19-2)9-12(14)17/h9-10,18H,3-8H2,1-2H3
InChIKeyBWWWUFMZMSNGIH-UHFFFAOYSA-N
XLogP4.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.15
LogP ≤ 54.52
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

2-[1-(2-bromophenoxy)cyclobutyl]-N-ethylethanamine
CID 103273382
N-ethyl-2-[1-(2,4,5-trichlorophenoxy)cyclobutyl]ethanamine
CID 103273417
N-[2-[1-(2-bromo-4-methoxyphenoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine
CID 103274444
2-[1-(2,4-dimethylphenoxy)cyclobutyl]-N-ethylethanamine
CID 103273499
2-[1-(2-bromo-4-methylphenoxy)cyclobutyl]-N-methylethanamine
CID 103273796
1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103556204
N-ethyl-2-[1-(3-iodophenoxy)cyclobutyl]ethanamine
CID 103273839
4-(2,5-dibromo-4-methoxyphenoxy)-N-ethylpentan-1-amine
CID 79404179
N-[2-[1-(2,5-dichlorophenoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273491
N'-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylpropane-1,3-diamine
CID 113410172
2-[1-(5-bromo-2-fluorophenoxy)cyclobutyl]-N-methylethanamine
CID 103274512
N-[2-[1-(5-bromo-2-methylphenoxy)cyclobutyl]ethyl]propan-2-amine
CID 107285808

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dibromo-4-methoxyphenoxy)cyclobutyl]-N-ethylethanamine?
The IUPAC name of 2-[1-(2,5-dibromo-4-methoxyphenoxy)cyclobutyl]-N-ethylethanamine (CID 103274245) is 2-[1-(2,5-dibromo-4-methoxyphenoxy)cyclobutyl]-N-ethylethanamine.
What is the SMILES notation for 2-[1-(2,5-dibromo-4-methoxyphenoxy)cyclobutyl]-N-ethylethanamine?
The canonical SMILES for 2-[1-(2,5-dibromo-4-methoxyphenoxy)cyclobutyl]-N-ethylethanamine is CCNCCC1(Oc2cc(Br)c(OC)cc2Br)CCC1.
What is the InChIKey of 2-[1-(2,5-dibromo-4-methoxyphenoxy)cyclobutyl]-N-ethylethanamine?
The InChIKey is BWWWUFMZMSNGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br2NO2/c1-3-18-8-7-15(5-4-6-15)20-14-10-11(16)13(19-2)9-12(14)17/h9-10,18H,3-8H2,1-2H3.
What are the key properties of 2-[1-(2,5-dibromo-4-methoxyphenoxy)cyclobutyl]-N-ethylethanamine?
2-[1-(2,5-dibromo-4-methoxyphenoxy)cyclobutyl]-N-ethylethanamine has a molecular weight of 407.15 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dibromo-4-methoxyphenoxy)cyclobutyl]-N-ethylethanamine is sourced from PubChem (CID 103274245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).