3-(2,4-dibromophenoxy)spiro[3.4]octan-1-amine

C14H17Br2NO — CID 66352704

IUPAC3-(2,4-dibromophenoxy)spiro[3.4]octan-1-amine
SMILESNC1CC(Oc2ccc(Br)cc2Br)C12CCCC2
InChIInChI=1S/C14H17Br2NO/c15-9-3-4-11(10(16)7-9)18-13-8-12(17)14(13)5-1-2-6-14/h3-4,7,12-13H,1-2,5-6,8,17H2
InChIKeyFWLSXEYLBYFXHK-UHFFFAOYSA-N
MW375.10 g/mol
LogP4.25
Rot. Bonds2

About 3-(2,4-dibromophenoxy)spiro[3.4]octan-1-amine

3-(2,4-dibromophenoxy)spiro[3.4]octan-1-amine (PubChem CID 66352704) has the molecular formula C14H17Br2NO and a molecular weight of 375.10 g/mol. Its IUPAC name is 3-(2,4-dibromophenoxy)spiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-(2,4-dibromophenoxy)spiro[3.4]octan-1-amine
PubChem CID66352704
Molecular FormulaC14H17Br2NO
Molecular Weight375.10 g/mol
Exact Mass372.97
IUPAC Name3-(2,4-dibromophenoxy)spiro[3.4]octan-1-amine
SMILESNC1CC(Oc2ccc(Br)cc2Br)C12CCCC2
InChIInChI=1S/C14H17Br2NO/c15-9-3-4-11(10(16)7-9)18-13-8-12(17)14(13)5-1-2-6-14/h3-4,7,12-13H,1-2,5-6,8,17H2
InChIKeyFWLSXEYLBYFXHK-UHFFFAOYSA-N
XLogP4.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.10
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromo-4-chlorophenoxy)spiro[3.4]octan-1-amine
CID 66357945
3-(2-bromo-4-methoxyphenoxy)spiro[3.5]nonan-1-amine
CID 104708728
3-chloro-1-(2,4-dibromophenoxy)spiro[3.5]nonane
CID 66346019
3-(5-bromo-2-methylphenoxy)spiro[3.4]octan-1-amine
CID 107287279
3-(5-bromo-2-fluorophenoxy)spiro[3.6]decan-1-amine
CID 114677220
3-(4-bromo-2-nitrophenoxy)spiro[3.4]octan-1-amine
CID 66350966
3-(6-bromonaphthalen-2-yl)oxyspiro[3.4]octan-1-amine
CID 66357532
3-(2,4-dibromophenoxy)-N-propylspiro[3.4]octan-1-amine
CID 66352926
3-(2-methoxy-4-methylphenoxy)spiro[3.6]decan-1-amine
CID 66358567
3-(4-bromo-3-fluorophenoxy)spiro[3.4]octan-1-amine
CID 66352935
3-(5-bromo-2-chlorophenoxy)spiro[3.4]octan-1-ol
CID 66343757
3-(2-bromo-4-methylphenoxy)spiro[3.6]decan-1-ol
CID 66367535

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dibromophenoxy)spiro[3.4]octan-1-amine?
The IUPAC name of 3-(2,4-dibromophenoxy)spiro[3.4]octan-1-amine (CID 66352704) is 3-(2,4-dibromophenoxy)spiro[3.4]octan-1-amine.
What is the SMILES notation for 3-(2,4-dibromophenoxy)spiro[3.4]octan-1-amine?
The canonical SMILES for 3-(2,4-dibromophenoxy)spiro[3.4]octan-1-amine is NC1CC(Oc2ccc(Br)cc2Br)C12CCCC2.
What is the InChIKey of 3-(2,4-dibromophenoxy)spiro[3.4]octan-1-amine?
The InChIKey is FWLSXEYLBYFXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br2NO/c15-9-3-4-11(10(16)7-9)18-13-8-12(17)14(13)5-1-2-6-14/h3-4,7,12-13H,1-2,5-6,8,17H2.
What are the key properties of 3-(2,4-dibromophenoxy)spiro[3.4]octan-1-amine?
3-(2,4-dibromophenoxy)spiro[3.4]octan-1-amine has a molecular weight of 375.10 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dibromophenoxy)spiro[3.4]octan-1-amine is sourced from PubChem (CID 66352704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).