5-(2-bromophenyl)-11-methoxy-3-azaspiro[5.5]undecane

C17H24BrNO — CID 106874927

IUPAC5-(2-bromophenyl)-11-methoxy-3-azaspiro[5.5]undecane
SMILESCOC1CCCCC12CCNCC2c1ccccc1Br
InChIInChI=1S/C17H24BrNO/c1-20-16-8-4-5-9-17(16)10-11-19-12-14(17)13-6-2-3-7-15(13)18/h2-3,6-7,14,16,19H,4-5,8-12H2,1H3
InChIKeyFYOOZUWMNYPJFT-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.10
Rot. Bonds2

About 5-(2-bromophenyl)-11-methoxy-3-azaspiro[5.5]undecane

5-(2-bromophenyl)-11-methoxy-3-azaspiro[5.5]undecane (PubChem CID 106874927) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is 5-(2-bromophenyl)-11-methoxy-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name5-(2-bromophenyl)-11-methoxy-3-azaspiro[5.5]undecane
PubChem CID106874927
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC Name5-(2-bromophenyl)-11-methoxy-3-azaspiro[5.5]undecane
SMILESCOC1CCCCC12CCNCC2c1ccccc1Br
InChIInChI=1S/C17H24BrNO/c1-20-16-8-4-5-9-17(16)10-11-19-12-14(17)13-6-2-3-7-15(13)18/h2-3,6-7,14,16,19H,4-5,8-12H2,1H3
InChIKeyFYOOZUWMNYPJFT-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-bromophenyl)-2-methoxy-7-azaspiro[3.5]nonane
CID 106824891
5-(2-chlorophenyl)-11-methyl-3-azaspiro[5.5]undecane
CID 79454434
5-(2-bromophenyl)-9-ethyl-3-azaspiro[5.5]undecane
CID 79450871
(4R)-4-(2-bromophenyl)-2-azaspiro[4.4]nonane
CID 124670148
5-(2-bromophenyl)-9-ethyl-3-azaspiro[5.6]dodecane
CID 79439161
3-(2-bromophenyl)-4-ethyl-4-(2-methylbutyl)piperidine
CID 79455371
(3R)-3-(2-bromophenyl)pyrrolidine
CID 95447261
1-(2-bromoanilino)-2-methoxycyclohexane-1-carbonitrile
CID 106872842
5-(2-bromophenyl)-8,10,10-trimethyl-3-azaspiro[5.5]undecane
CID 79438736
5-(3-fluorophenyl)-11-methyl-3-azaspiro[5.5]undecane
CID 79433045
3-methoxy-4-(2-methoxyphenyl)piperidine
CID 70219003
3'-(2-fluorophenyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,4'-piperidine]
CID 82855956

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-11-methoxy-3-azaspiro[5.5]undecane?
The IUPAC name of 5-(2-bromophenyl)-11-methoxy-3-azaspiro[5.5]undecane (CID 106874927) is 5-(2-bromophenyl)-11-methoxy-3-azaspiro[5.5]undecane.
What is the SMILES notation for 5-(2-bromophenyl)-11-methoxy-3-azaspiro[5.5]undecane?
The canonical SMILES for 5-(2-bromophenyl)-11-methoxy-3-azaspiro[5.5]undecane is COC1CCCCC12CCNCC2c1ccccc1Br.
What is the InChIKey of 5-(2-bromophenyl)-11-methoxy-3-azaspiro[5.5]undecane?
The InChIKey is FYOOZUWMNYPJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-20-16-8-4-5-9-17(16)10-11-19-12-14(17)13-6-2-3-7-15(13)18/h2-3,6-7,14,16,19H,4-5,8-12H2,1H3.
What are the key properties of 5-(2-bromophenyl)-11-methoxy-3-azaspiro[5.5]undecane?
5-(2-bromophenyl)-11-methoxy-3-azaspiro[5.5]undecane has a molecular weight of 338.29 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-11-methoxy-3-azaspiro[5.5]undecane is sourced from PubChem (CID 106874927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).