1-(Pyridin-4-yl)-1,2,3,4-tetrahydroisoquinoline

C₁₄H₁₄N₂CAS 180272-43-9210.28 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₁₄H₁₄N₂
Molar mass: 210.28 g/mol
Exact mass: 210.1157 Da
logP: 2.32Crippen estimate
Polar surface area: 24.9 Å²
H-bond donors / acceptors: 1 / 2
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

180272-43-9

SMILES

C1CNC(C2=CC=CC=C21)C3=CC=NC=C3

InChIKey

JFKYAEYYDOTEBD-UHFFFAOYSA-N

InChI

InChI=1S/C14H14N2/c1-2-4-13-11(3-1)7-10-16-14(13)12-5-8-15-9-6-12/h1-6,8-9,14,16H,7,10H2

Weigh it out

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

Names and synonyms

1 names

1-(4-Pyridyl)-1,2,3,4-tetrahydro isoquinoline

Work with 1-(Pyridin-4-yl)-1,2,3,4-tetrahydroisoquinoline

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

(+)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline118864-75-874 % similar 1-Phenyl-1,2,3,4-tetrahydro-isoquinoline22990-19-874 % similar 1-Methyl-1,2,3,4-tetrahydroisoquinoline4965-09-750 % similar 1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid41034-52-044 % similar (1,2,3,4-Tetrahydro-isoquinolin-1-yl)-acetic acid105400-81-541 % similar 4-(Pyrrolidin-2-yl)pyridine128562-25-439 % similar 1,2,3,4,5,6-Hexahydro-[4,4′]bipyridinyl581-45-338 % similar 1-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)piperazine69159-50-838 % similar

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

Same formula

3-Amino-9-ethylcarbazole132-32-1 5,10-Dihydro-5,10-dimethylphenazine15546-75-5 Naphazoline835-31-4

Elsewhere

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