1-Phenyl-3,4-dihydroisoquinoline

C₁₅H₁₃NCAS 52250-50-7207.28 g/mol

Open in Covalent MOL file

Imine

Properties

Molecular formula: C₁₅H₁₃N
Molar mass: 207.28 g/mol
Exact mass: 207.1048 Da
logP: 3.08Crippen estimate
Polar surface area: 12.4 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

52250-50-7

SMILES

C1CN=C(C2=CC=CC=C21)C3=CC=CC=C3

InChIKey

CTOQBSUYGFNMJX-UHFFFAOYSA-N

InChI

InChI=1S/C15H13N/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15/h1-9H,10-11H2

Weigh it out

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

Work with 1-Phenyl-3,4-dihydroisoquinoline

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

3,4-Dihydroisoquinolin-1(2H)-one1196-38-955 % similar 1,3-Dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one2898-08-044 % similar [(Diphenylmethylene)amino]acetonitrile70591-20-740 % similar Dibenzosuberone1210-35-139 % similar 2,3-Dihydro-1H-inden-1-one oxime3349-60-839 % similar Benzhydrylidene methylamine13280-16-538 % similar Benzophenone hydrazone5350-57-238 % similar Diphenyl ketoxime574-66-338 % similar

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

Same formula

4-Benzylphenylacetonitrile101096-72-4 β-Phenylbenzenepropanenitrile2286-54-6 1-Benzylindole3377-71-7 1-Methyl-2-phenylindole3558-24-5 α-Methyl-α-phenylbenzeneacetonitrile5558-67-8 4-Ethyl-4′-cyanobiphenyl58743-75-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook