(+)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline

C₁₅H₁₅NCAS 118864-75-8209.29 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₁₅H₁₅N
Molar mass: 209.29 g/mol
Exact mass: 209.1204 Da
Melting point: 80–82 °C
logP: 2.92Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed23.5% of notifiers
H315 Causes skin irritation17.6% of notifiers
H319 Causes serious eye irritation70.6% of notifiers
H335 May cause respiratory irritation17.6% of notifiers

Aggregated from 17 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

118864-75-8

SMILES

c1ccc([C@@H]2NCCc3ccccc32)cc1

InChIKey

PRTRSEDVLBBFJZ-HNNXBMFYSA-N

InChI

InChI=1S/C15H15N/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15/h1-9,15-16H,10-11H2/t15-/m0/s1

Weigh it out

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

Names and synonyms

8 names

Isoquinoline, 1,2,3,4-tetrahydro-1-phenyl-, (1S)-
Isoquinoline, 1,2,3,4-tetrahydro-1-phenyl-, (S)-
(1S)-1,2,3,4-Tetrahydro-1-phenylisoquinoline
(S)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline
(1S)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline
(S)-(+)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline
(-)-(S)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline
(S)-1,2,3,4-Tetrahydro-1-phenylisoquinoline

Work with (+)-1-Phenyl-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1-Phenyl-1,2,3,4-tetrahydro-isoquinoline22990-19-8Stereo not defined

Similar compounds

1-(Pyridin-4-yl)-1,2,3,4-tetrahydroisoquinoline180272-43-974 % similar 1-Methyl-1,2,3,4-tetrahydroisoquinoline4965-09-756 % similar 1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid41034-52-049 % similar (1,2,3,4-Tetrahydro-isoquinolin-1-yl)-acetic acid105400-81-545 % similar 1-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)piperazine69159-50-842 % similar 2,3,4,5-Tetrahydro-1H-benzo(d)azepine4424-20-841 % similar 5-Chlorodibenzosuberane1210-33-941 % similar Dibenzosuberol1210-34-041 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

9,9-Dimethyl-9H-fluoren-2-amine108714-73-4 2-Benzyl-3-phenylaziridine1605-08-9 1,1,2-Trimethyl-1H-benz[e]indole41532-84-7 9,9-Dimethyl-9,10-dihydroacridine6267-02-3 2,3,3-Trimethyl-3H-benzo(g)indole74470-85-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook