1-(3,5-Dimethylphenyl)-6-(1-methylethyl)isoquinoline

C₂₀H₂₁NCAS 1936437-58-9275.40 g/mol

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Properties

Molecular formula: C₂₀H₂₁N
Molar mass: 275.40 g/mol
Exact mass: 275.1674 Da
logP: 5.64Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

1936437-58-9

SMILES

CC1=CC(=CC(=C1)C2=NC=CC3=C2C=CC(=C3)C(C)C)C

InChIKey

XYUORYRNDCCNPG-UHFFFAOYSA-N

InChI

InChI=1S/C20H21N/c1-13(2)16-5-6-19-17(12-16)7-8-21-20(19)18-10-14(3)9-15(4)11-18/h5-13H,1-4H3

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Names and synonyms

1 names

1-(3,5-Dimethylphenyl)-6-isopropylisoquinoline

Work with 1-(3,5-Dimethylphenyl)-6-(1-methylethyl)isoquinoline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

6-Isopropylisoquinoline790304-84-643 % similar Retene483-65-842 % similar 6-Isopropylquinoline135-79-542 % similar 2,6-Diisopropylnaphthalene24157-81-142 % similar P-Cymene99-87-638 % similar 2-Isopropylnaphthalene2027-17-038 % similar M-Cymene535-77-338 % similar (Cymene)ruthenium dichloride dimer52462-29-036 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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