2-(3-tert-butyl-5-methylphenyl)-4-(2,2-dimethylpropyl)quinoline

C25H31N — CID 167260846

IUPAC2-(3-tert-butyl-5-methylphenyl)-4-(2,2-dimethylpropyl)quinoline
SMILESCc1cc(-c2cc(CC(C)(C)C)c3ccccc3n2)cc(C(C)(C)C)c1
InChIInChI=1S/C25H31N/c1-17-12-18(14-20(13-17)25(5,6)7)23-15-19(16-24(2,3)4)21-10-8-9-11-22(21)26-23/h8-15H,16H2,1-7H3
InChIKeyYEFFBRCSBMSNMH-UHFFFAOYSA-N
MW345.53 g/mol
LogP7.10
Rot. Bonds2

About 2-(3-tert-butyl-5-methylphenyl)-4-(2,2-dimethylpropyl)quinoline

2-(3-tert-butyl-5-methylphenyl)-4-(2,2-dimethylpropyl)quinoline (PubChem CID 167260846) has the molecular formula C25H31N and a molecular weight of 345.53 g/mol. Its IUPAC name is 2-(3-tert-butyl-5-methylphenyl)-4-(2,2-dimethylpropyl)quinoline.

Molecular Properties

Compound Name2-(3-tert-butyl-5-methylphenyl)-4-(2,2-dimethylpropyl)quinoline
PubChem CID167260846
Molecular FormulaC25H31N
Molecular Weight345.53 g/mol
Exact Mass345.25
IUPAC Name2-(3-tert-butyl-5-methylphenyl)-4-(2,2-dimethylpropyl)quinoline
SMILESCc1cc(-c2cc(CC(C)(C)C)c3ccccc3n2)cc(C(C)(C)C)c1
InChIInChI=1S/C25H31N/c1-17-12-18(14-20(13-17)25(5,6)7)23-15-19(16-24(2,3)4)21-10-8-9-11-22(21)26-23/h8-15H,16H2,1-7H3
InChIKeyYEFFBRCSBMSNMH-UHFFFAOYSA-N
XLogP7.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.53
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,5-dimethylphenyl)-4-(2-fluoro-2-methylpropyl)quinoline
CID 164787331
2-(3-tert-butyl-5-methylphenyl)quinoline
CID 146511822
2-(3,5-dimethylphenyl)-4-tetraphenylen-2-ylquinoline
CID 164939626
2-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-4-fluoroquinoline
CID 159845095
6-(3-tert-butyl-5-methylphenyl)-7-azapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),3,5(10),6,8,12,15,17,19,21-undecaene
CID 171417966
6-(3,5-dimethylphenyl)phenanthridine
CID 122398560
tert-butylbenzene;1-tert-butyl-3,5-dimethylbenzene
CID 165052129
[2-(3-tert-butyl-5-methylphenyl)-3-phenylquinolin-5-yl]-trimethylsilane
CID 156675812
6-(3-tert-butyl-5-methylphenyl)-2-phenylthieno[3,2-c]pyridine
CID 155626337
1,1'-biphenyl;tetrakis(1,3-ditert-butyl-5-methylbenzene)
CID 175093014
7-tert-butyl-2-(3,5-dimethylphenyl)quinoline
CID 159604387
4-(1-bicyclo[2.2.2]octanyl)-2-(3,5-dimethylphenyl)quinoline
CID 156655138

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-5-methylphenyl)-4-(2,2-dimethylpropyl)quinoline?
The IUPAC name of 2-(3-tert-butyl-5-methylphenyl)-4-(2,2-dimethylpropyl)quinoline (CID 167260846) is 2-(3-tert-butyl-5-methylphenyl)-4-(2,2-dimethylpropyl)quinoline.
What is the SMILES notation for 2-(3-tert-butyl-5-methylphenyl)-4-(2,2-dimethylpropyl)quinoline?
The canonical SMILES for 2-(3-tert-butyl-5-methylphenyl)-4-(2,2-dimethylpropyl)quinoline is Cc1cc(-c2cc(CC(C)(C)C)c3ccccc3n2)cc(C(C)(C)C)c1.
What is the InChIKey of 2-(3-tert-butyl-5-methylphenyl)-4-(2,2-dimethylpropyl)quinoline?
The InChIKey is YEFFBRCSBMSNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N/c1-17-12-18(14-20(13-17)25(5,6)7)23-15-19(16-24(2,3)4)21-10-8-9-11-22(21)26-23/h8-15H,16H2,1-7H3.
What are the key properties of 2-(3-tert-butyl-5-methylphenyl)-4-(2,2-dimethylpropyl)quinoline?
2-(3-tert-butyl-5-methylphenyl)-4-(2,2-dimethylpropyl)quinoline has a molecular weight of 345.53 g/mol, XLogP of 7.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-5-methylphenyl)-4-(2,2-dimethylpropyl)quinoline is sourced from PubChem (CID 167260846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).