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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Related Compounds

CID 164706111
CID 164706111
1,2-dimethyl-4-(4-phenylphenyl)-2-azabicyclo[2.2.2]octane
CID 137421914
2-methyl-3-(2-methyl-5-phenylphenyl)-1-phenyl-4,5,6,7-tetrahydro-2H-imidazo[4,5-b]pyrazine
CID 171620853
5,10-dimethyl-2-phenylphenazine
CID 22055373
1-methyl-4-(4-methylphenyl)-2-phenylbenzene
CID 18683184
15,22-ditert-butyl-18-(4-tert-butyl-2-phenylphenyl)-5,5,8,8-tetramethyl-12-(2-methyl-5-phenylphenyl)-12,18-diaza-1-borahexacyclo[11.11.1.02,11.04,9.017,25.019,24]pentacosa-2,4(9),10,13,15,17(25),19(24),20,22-nonaene
CID 167394697
5,5',6,6'-tetramethyl-1,1',3,3'-tetrakis(4-phenylphenyl)-2,2'-spirobi[1,3,2-benzodiazasilole]
CID 58249847
2-(2-methyl-5-phenylphenyl)ethanamine
CID 115027519
methyl-(2-methyl-5-phenylphenyl)phosphane
CID 170078838
11,18,18,20,20-pentamethyl-8-(2-methyl-5-phenylphenyl)-5-phenyl-14-(1,1,3,3-tetramethyl-2H-inden-5-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9,11,13(24),15,17(21),22-nonaene
CID 167393431
5,5,8,8-tetramethyl-18-(2-methyl-5-phenylphenyl)-12-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)-N,N,22-triphenyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.04,9.017,25.019,24]pentacosa-2,4(9),10,13,15,17(25),19(24),20,22-nonaen-15-amine
CID 167394844
15,22-ditert-butyl-5,5,8,8-tetramethyl-18-(2-methyl-5-phenylphenyl)-12-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-12,18-diaza-1-borahexacyclo[11.11.1.02,11.04,9.017,25.019,24]pentacosa-2,4(9),10,13(25),14,16,19(24),20,22-nonaene
CID 167392364

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).