4-(2,2-dimethylpropyl)-4-methyl-2-phenyl-2,3-dihydro-1H-quinoline

C21H27N — CID 139220169

IUPAC4-(2,2-dimethylpropyl)-4-methyl-2-phenyl-2,3-dihydro-1H-quinoline
SMILESCC(C)(C)CC1(C)CC(c2ccccc2)Nc2ccccc21
InChIInChI=1S/C21H27N/c1-20(2,3)15-21(4)14-19(16-10-6-5-7-11-16)22-18-13-9-8-12-17(18)21/h5-13,19,22H,14-15H2,1-4H3
InChIKeyCGCXREJMXGZEGE-UHFFFAOYSA-N
MW293.45 g/mol
LogP5.94
Rot. Bonds2

About 4-(2,2-dimethylpropyl)-4-methyl-2-phenyl-2,3-dihydro-1H-quinoline

4-(2,2-dimethylpropyl)-4-methyl-2-phenyl-2,3-dihydro-1H-quinoline (PubChem CID 139220169) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-4-methyl-2-phenyl-2,3-dihydro-1H-quinoline.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-4-methyl-2-phenyl-2,3-dihydro-1H-quinoline
PubChem CID139220169
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC Name4-(2,2-dimethylpropyl)-4-methyl-2-phenyl-2,3-dihydro-1H-quinoline
SMILESCC(C)(C)CC1(C)CC(c2ccccc2)Nc2ccccc21
InChIInChI=1S/C21H27N/c1-20(2,3)15-21(4)14-19(16-10-6-5-7-11-16)22-18-13-9-8-12-17(18)21/h5-13,19,22H,14-15H2,1-4H3
InChIKeyCGCXREJMXGZEGE-UHFFFAOYSA-N
XLogP5.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.45
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-4-methyl-2-phenyl-2,3-dihydro-1H-quinoline?
The IUPAC name of 4-(2,2-dimethylpropyl)-4-methyl-2-phenyl-2,3-dihydro-1H-quinoline (CID 139220169) is 4-(2,2-dimethylpropyl)-4-methyl-2-phenyl-2,3-dihydro-1H-quinoline.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-4-methyl-2-phenyl-2,3-dihydro-1H-quinoline?
The canonical SMILES for 4-(2,2-dimethylpropyl)-4-methyl-2-phenyl-2,3-dihydro-1H-quinoline is CC(C)(C)CC1(C)CC(c2ccccc2)Nc2ccccc21.
What is the InChIKey of 4-(2,2-dimethylpropyl)-4-methyl-2-phenyl-2,3-dihydro-1H-quinoline?
The InChIKey is CGCXREJMXGZEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N/c1-20(2,3)15-21(4)14-19(16-10-6-5-7-11-16)22-18-13-9-8-12-17(18)21/h5-13,19,22H,14-15H2,1-4H3.
What are the key properties of 4-(2,2-dimethylpropyl)-4-methyl-2-phenyl-2,3-dihydro-1H-quinoline?
4-(2,2-dimethylpropyl)-4-methyl-2-phenyl-2,3-dihydro-1H-quinoline has a molecular weight of 293.45 g/mol, XLogP of 5.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-4-methyl-2-phenyl-2,3-dihydro-1H-quinoline is sourced from PubChem (CID 139220169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).