2-(2-bromophenyl)-10-methyl-1-oxa-4-azaspiro[5.5]undecane

C16H22BrNO — CID 65116449

IUPAC2-(2-bromophenyl)-10-methyl-1-oxa-4-azaspiro[5.5]undecane
SMILESCC1CCCC2(CNCC(c3ccccc3Br)O2)C1
InChIInChI=1S/C16H22BrNO/c1-12-5-4-8-16(9-12)11-18-10-15(19-16)13-6-2-3-7-14(13)17/h2-3,6-7,12,15,18H,4-5,8-11H2,1H3
InChIKeyWTCIHCWPBBQXRF-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.06
Rot. Bonds1

About 2-(2-bromophenyl)-10-methyl-1-oxa-4-azaspiro[5.5]undecane

2-(2-bromophenyl)-10-methyl-1-oxa-4-azaspiro[5.5]undecane (PubChem CID 65116449) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is 2-(2-bromophenyl)-10-methyl-1-oxa-4-azaspiro[5.5]undecane.

Molecular Properties

Compound Name2-(2-bromophenyl)-10-methyl-1-oxa-4-azaspiro[5.5]undecane
PubChem CID65116449
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC Name2-(2-bromophenyl)-10-methyl-1-oxa-4-azaspiro[5.5]undecane
SMILESCC1CCCC2(CNCC(c3ccccc3Br)O2)C1
InChIInChI=1S/C16H22BrNO/c1-12-5-4-8-16(9-12)11-18-10-15(19-16)13-6-2-3-7-14(13)17/h2-3,6-7,12,15,18H,4-5,8-11H2,1H3
InChIKeyWTCIHCWPBBQXRF-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-10-methyl-1-oxa-4-azaspiro[5.5]undecane?
The IUPAC name of 2-(2-bromophenyl)-10-methyl-1-oxa-4-azaspiro[5.5]undecane (CID 65116449) is 2-(2-bromophenyl)-10-methyl-1-oxa-4-azaspiro[5.5]undecane.
What is the SMILES notation for 2-(2-bromophenyl)-10-methyl-1-oxa-4-azaspiro[5.5]undecane?
The canonical SMILES for 2-(2-bromophenyl)-10-methyl-1-oxa-4-azaspiro[5.5]undecane is CC1CCCC2(CNCC(c3ccccc3Br)O2)C1.
What is the InChIKey of 2-(2-bromophenyl)-10-methyl-1-oxa-4-azaspiro[5.5]undecane?
The InChIKey is WTCIHCWPBBQXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c1-12-5-4-8-16(9-12)11-18-10-15(19-16)13-6-2-3-7-14(13)17/h2-3,6-7,12,15,18H,4-5,8-11H2,1H3.
What are the key properties of 2-(2-bromophenyl)-10-methyl-1-oxa-4-azaspiro[5.5]undecane?
2-(2-bromophenyl)-10-methyl-1-oxa-4-azaspiro[5.5]undecane has a molecular weight of 324.26 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-10-methyl-1-oxa-4-azaspiro[5.5]undecane is sourced from PubChem (CID 65116449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).