8-[2-(4-bromophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane

C15H20BrNO2 — CID 11198162

IUPAC8-[2-(4-bromophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESBrc1ccc(CCN2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C15H20BrNO2/c16-14-3-1-13(2-4-14)5-8-17-9-6-15(7-10-17)18-11-12-19-15/h1-4H,5-12H2
InChIKeyWNAYDYKJVRFCBP-UHFFFAOYSA-N
MW326.23 g/mol
LogP2.83
Rot. Bonds3

About 8-[2-(4-bromophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[2-(4-bromophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 11198162) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 8-[2-(4-bromophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[2-(4-bromophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID11198162
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name8-[2-(4-bromophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESBrc1ccc(CCN2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C15H20BrNO2/c16-14-3-1-13(2-4-14)5-8-17-9-6-15(7-10-17)18-11-12-19-15/h1-4H,5-12H2
InChIKeyWNAYDYKJVRFCBP-UHFFFAOYSA-N
XLogP2.83
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 19045246
8-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 82255757
8-[(3-bromo-4-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 60523654
8-[2-(2-nitrophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 19045290
8-(2-phenylmethoxyethyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 130536954
1-[2-(4-bromophenyl)ethyl]-4-[2-(4-nitrophenyl)ethyl]piperazine
CID 67513412
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-propylphenyl)ethanol
CID 82217030
ethane;8-propyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 143370100
8-[(3,4-difluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 59805850
8-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 78962635
8-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 15071480
[8-[(4-bromophenyl)methyl]-1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl]methyl-trimethylsilane
CID 166448962

Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-bromophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[2-(4-bromophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 11198162) is 8-[2-(4-bromophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[2-(4-bromophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[2-(4-bromophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane is Brc1ccc(CCN2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of 8-[2-(4-bromophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is WNAYDYKJVRFCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c16-14-3-1-13(2-4-14)5-8-17-9-6-15(7-10-17)18-11-12-19-15/h1-4H,5-12H2.
What are the key properties of 8-[2-(4-bromophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[2-(4-bromophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 326.23 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-bromophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 11198162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).