chempirical

6-Isopropylquinoline

C12H13NCAS 135-79-5171.24 g/mol

Open in Covalent MOL file
N

Properties

Molecular formula
C12H13N
Molar mass
171.24 g/mol
Exact mass
171.1048 Da
Boiling point
143 °C (at 12 Torr)
logP
3.36Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
135-79-5
SMILES
CC(C)c1ccc2ncccc2c1
InChIKey
NKCQEIXYLHACJC-UHFFFAOYSA-N
InChI
InChI=1S/C12H13N/c1-9(2)10-5-6-12-11(8-10)4-3-7-13-12/h3-9H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • 6-(1-Methylethyl)quinoline
  • Quinoline, 6-(1-methylethyl)-
  • Quinoline, 6-isopropyl-

Work with 6-Isopropylquinoline

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-Isopropylnaphthalene2027-17-055 % similar 6-Methylquinoline91-62-355 % similar 2,6-Diisopropylnaphthalene24157-81-152 % similar 6-Iodoquinoline13327-31-650 % similar 6-Fluoroquinoline396-30-550 % similar 6-Methoxyquinoline5263-87-650 % similar 6-Bromoquinoline5332-25-250 % similar 6-Aminoquinoline580-15-450 % 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 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 1-(1-Naphthyl)ethylamine42882-31-5

Elsewhere

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