1,4-dimethyl-2-(2-methyl-5-phenylphenyl)-2-azabicyclo[2.2.2]octane

C22H27N — CID 165013318

IUPAC1,4-dimethyl-2-(2-methyl-5-phenylphenyl)-2-azabicyclo[2.2.2]octane
SMILESCc1ccc(-c2ccccc2)cc1N1CC2(C)CCC1(C)CC2
InChIInChI=1S/C22H27N/c1-17-9-10-19(18-7-5-4-6-8-18)15-20(17)23-16-21(2)11-13-22(23,3)14-12-21/h4-10,15H,11-14,16H2,1-3H3
InChIKeyWTMYJSUFSPYHEA-UHFFFAOYSA-N
MW305.47 g/mol
LogP5.82
Rot. Bonds2

About 1,4-dimethyl-2-(2-methyl-5-phenylphenyl)-2-azabicyclo[2.2.2]octane

1,4-dimethyl-2-(2-methyl-5-phenylphenyl)-2-azabicyclo[2.2.2]octane (PubChem CID 165013318) has the molecular formula C22H27N and a molecular weight of 305.47 g/mol. Its IUPAC name is 1,4-dimethyl-2-(2-methyl-5-phenylphenyl)-2-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name1,4-dimethyl-2-(2-methyl-5-phenylphenyl)-2-azabicyclo[2.2.2]octane
PubChem CID165013318
Molecular FormulaC22H27N
Molecular Weight305.47 g/mol
Exact Mass305.21
IUPAC Name1,4-dimethyl-2-(2-methyl-5-phenylphenyl)-2-azabicyclo[2.2.2]octane
SMILESCc1ccc(-c2ccccc2)cc1N1CC2(C)CCC1(C)CC2
InChIInChI=1S/C22H27N/c1-17-9-10-19(18-7-5-4-6-8-18)15-20(17)23-16-21(2)11-13-22(23,3)14-12-21/h4-10,15H,11-14,16H2,1-3H3
InChIKeyWTMYJSUFSPYHEA-UHFFFAOYSA-N
XLogP5.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.47
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-(2-methyl-5-phenylphenyl)-2-azabicyclo[2.2.2]octane?
The IUPAC name of 1,4-dimethyl-2-(2-methyl-5-phenylphenyl)-2-azabicyclo[2.2.2]octane (CID 165013318) is 1,4-dimethyl-2-(2-methyl-5-phenylphenyl)-2-azabicyclo[2.2.2]octane.
What is the SMILES notation for 1,4-dimethyl-2-(2-methyl-5-phenylphenyl)-2-azabicyclo[2.2.2]octane?
The canonical SMILES for 1,4-dimethyl-2-(2-methyl-5-phenylphenyl)-2-azabicyclo[2.2.2]octane is Cc1ccc(-c2ccccc2)cc1N1CC2(C)CCC1(C)CC2.
What is the InChIKey of 1,4-dimethyl-2-(2-methyl-5-phenylphenyl)-2-azabicyclo[2.2.2]octane?
The InChIKey is WTMYJSUFSPYHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N/c1-17-9-10-19(18-7-5-4-6-8-18)15-20(17)23-16-21(2)11-13-22(23,3)14-12-21/h4-10,15H,11-14,16H2,1-3H3.
What are the key properties of 1,4-dimethyl-2-(2-methyl-5-phenylphenyl)-2-azabicyclo[2.2.2]octane?
1,4-dimethyl-2-(2-methyl-5-phenylphenyl)-2-azabicyclo[2.2.2]octane has a molecular weight of 305.47 g/mol, XLogP of 5.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-(2-methyl-5-phenylphenyl)-2-azabicyclo[2.2.2]octane is sourced from PubChem (CID 165013318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).