5-(2-bromophenyl)-2-methoxy-7-azaspiro[3.5]nonane

C15H20BrNO — CID 106824891

IUPAC5-(2-bromophenyl)-2-methoxy-7-azaspiro[3.5]nonane
SMILESCOC1CC2(CCNCC2c2ccccc2Br)C1
InChIInChI=1S/C15H20BrNO/c1-18-11-8-15(9-11)6-7-17-10-13(15)12-4-2-3-5-14(12)16/h2-5,11,13,17H,6-10H2,1H3
InChIKeyKJIANSYIAHPLAX-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.32
Rot. Bonds2

About 5-(2-bromophenyl)-2-methoxy-7-azaspiro[3.5]nonane

5-(2-bromophenyl)-2-methoxy-7-azaspiro[3.5]nonane (PubChem CID 106824891) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is 5-(2-bromophenyl)-2-methoxy-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name5-(2-bromophenyl)-2-methoxy-7-azaspiro[3.5]nonane
PubChem CID106824891
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC Name5-(2-bromophenyl)-2-methoxy-7-azaspiro[3.5]nonane
SMILESCOC1CC2(CCNCC2c2ccccc2Br)C1
InChIInChI=1S/C15H20BrNO/c1-18-11-8-15(9-11)6-7-17-10-13(15)12-4-2-3-5-14(12)16/h2-5,11,13,17H,6-10H2,1H3
InChIKeyKJIANSYIAHPLAX-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-2-methoxy-7-azaspiro[3.5]nonane?
The IUPAC name of 5-(2-bromophenyl)-2-methoxy-7-azaspiro[3.5]nonane (CID 106824891) is 5-(2-bromophenyl)-2-methoxy-7-azaspiro[3.5]nonane.
What is the SMILES notation for 5-(2-bromophenyl)-2-methoxy-7-azaspiro[3.5]nonane?
The canonical SMILES for 5-(2-bromophenyl)-2-methoxy-7-azaspiro[3.5]nonane is COC1CC2(CCNCC2c2ccccc2Br)C1.
What is the InChIKey of 5-(2-bromophenyl)-2-methoxy-7-azaspiro[3.5]nonane?
The InChIKey is KJIANSYIAHPLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-18-11-8-15(9-11)6-7-17-10-13(15)12-4-2-3-5-14(12)16/h2-5,11,13,17H,6-10H2,1H3.
What are the key properties of 5-(2-bromophenyl)-2-methoxy-7-azaspiro[3.5]nonane?
5-(2-bromophenyl)-2-methoxy-7-azaspiro[3.5]nonane has a molecular weight of 310.23 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-2-methoxy-7-azaspiro[3.5]nonane is sourced from PubChem (CID 106824891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).