chempirical

6-Isopropylisoquinoline

C12H13NCAS 790304-84-6171.24 g/mol

Open in Covalent MOL file
N

Properties

Molecular formula
C12H13N
Molar mass
171.24 g/mol
Exact mass
171.1048 Da
logP
3.36Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

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
790304-84-6
SMILES
CC(C)C1=CC2=C(C=C1)C=NC=C2
InChIKey
ILBIJOWSHVGZPU-UHFFFAOYSA-N
InChI
InChI=1S/C12H13N/c1-9(2)10-3-4-12-8-13-6-5-11(12)7-10/h3-9H,1-2H3

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Names and synonyms

1 names
  • Isoquinoline, 6-(1-methylethyl)- (9ci)

Work with 6-Isopropylisoquinoline

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

2,6-Diisopropylnaphthalene24157-81-165 % similar 2-Isopropylnaphthalene2027-17-057 % similar 6-Methylisoquinoline42398-73-253 % similar 6-Methoxyisoquinoline52986-70-649 % similar 6-Aminoisoquinoline23687-26-548 % similar 6-Bromoisoquinoline34784-05-948 % similar 6-Chloroisoquinoline62882-02-448 % similar 6-Isoquinolinol7651-82-348 % similar

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

Same formula

(-)-1-(1-Naphthyl)ethylamine10420-89-0 N-Ethyl-1-naphthalenamine118-44-5 6-Isopropylquinoline135-79-5 Rasagiline136236-51-6 N-Methyl-1-naphthalenemethanamine14489-75-9 N,N-Dimethyl-2-naphthalenamine2436-85-3 (-)-1-(2-Naphthyl)ethylamine3082-62-0 (+)-1-(1-Naphthyl)ethylamine3886-70-2

Elsewhere

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