3-[2-(3-bromophenoxy)ethyl]-3-azaspiro[5.5]undecane

C18H26BrNO — CID 63456840

IUPAC3-[2-(3-bromophenoxy)ethyl]-3-azaspiro[5.5]undecane
SMILESBrc1cccc(OCCN2CCC3(CCCCC3)CC2)c1
InChIInChI=1S/C18H26BrNO/c19-16-5-4-6-17(15-16)21-14-13-20-11-9-18(10-12-20)7-2-1-3-8-18/h4-6,15H,1-3,7-14H2
InChIKeyFNKJAWULRWHQMX-UHFFFAOYSA-N
MW352.32 g/mol
LogP4.87
Rot. Bonds4

About 3-[2-(3-bromophenoxy)ethyl]-3-azaspiro[5.5]undecane

3-[2-(3-bromophenoxy)ethyl]-3-azaspiro[5.5]undecane (PubChem CID 63456840) has the molecular formula C18H26BrNO and a molecular weight of 352.32 g/mol. Its IUPAC name is 3-[2-(3-bromophenoxy)ethyl]-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3-[2-(3-bromophenoxy)ethyl]-3-azaspiro[5.5]undecane
PubChem CID63456840
Molecular FormulaC18H26BrNO
Molecular Weight352.32 g/mol
Exact Mass351.12
IUPAC Name3-[2-(3-bromophenoxy)ethyl]-3-azaspiro[5.5]undecane
SMILESBrc1cccc(OCCN2CCC3(CCCCC3)CC2)c1
InChIInChI=1S/C18H26BrNO/c19-16-5-4-6-17(15-16)21-14-13-20-11-9-18(10-12-20)7-2-1-3-8-18/h4-6,15H,1-3,7-14H2
InChIKeyFNKJAWULRWHQMX-UHFFFAOYSA-N
XLogP4.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(8-azaspiro[4.5]decan-8-yl)ethoxy]benzonitrile
CID 63160927
1-[2-(3-bromophenoxy)ethyl]piperidine;oxalic acid
CID 2924023
1-[4-(3-bromophenoxy)butyl]piperidine
CID 2297384
2-[4-[2-(3-bromophenoxy)ethyl]-1,4-diazepan-1-yl]ethanol
CID 63309734
1-[2-(3-bromophenoxy)ethyl]-4-(2-chloroethyl)-1,4-diazepane
CID 63387700
4-[2-(3-bromophenoxy)ethyl]-1,4-thiazepane
CID 54971594
2-[2-(3-bromophenoxy)ethyl]-1,3-dihydroisoindole
CID 62205043
1-[2-(3-bromophenoxy)ethyl]cyclohexan-1-amine
CID 28918025
1-[2-(3-bromophenoxy)ethyl]cyclooctan-1-amine
CID 80603583
2-[2-(3-bromophenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 113336045
4-(1-bromoethyl)-1-[2-(3-bromophenoxy)ethyl]piperidine
CID 106838322
1-[2-(3-bromophenoxy)ethyl]piperidine-4-carboxamide
CID 9442914

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-bromophenoxy)ethyl]-3-azaspiro[5.5]undecane?
The IUPAC name of 3-[2-(3-bromophenoxy)ethyl]-3-azaspiro[5.5]undecane (CID 63456840) is 3-[2-(3-bromophenoxy)ethyl]-3-azaspiro[5.5]undecane.
What is the SMILES notation for 3-[2-(3-bromophenoxy)ethyl]-3-azaspiro[5.5]undecane?
The canonical SMILES for 3-[2-(3-bromophenoxy)ethyl]-3-azaspiro[5.5]undecane is Brc1cccc(OCCN2CCC3(CCCCC3)CC2)c1.
What is the InChIKey of 3-[2-(3-bromophenoxy)ethyl]-3-azaspiro[5.5]undecane?
The InChIKey is FNKJAWULRWHQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrNO/c19-16-5-4-6-17(15-16)21-14-13-20-11-9-18(10-12-20)7-2-1-3-8-18/h4-6,15H,1-3,7-14H2.
What are the key properties of 3-[2-(3-bromophenoxy)ethyl]-3-azaspiro[5.5]undecane?
3-[2-(3-bromophenoxy)ethyl]-3-azaspiro[5.5]undecane has a molecular weight of 352.32 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-bromophenoxy)ethyl]-3-azaspiro[5.5]undecane is sourced from PubChem (CID 63456840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).