1-Methyl-1,2,3,4-tetrahydroisoquinoline

C10H13NCAS 4965-09-7147.22 g/mol

Open in Covalent MOL file
NH
Secondary amine

Properties

Molecular formula
C10H13N
Molar mass
147.22 g/mol
Exact mass
147.1048 Da
logP
1.89Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 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
4965-09-7
SMILES
CC1NCCc2ccccc21
InChIKey
QPILYVQSKNWRDD-UHFFFAOYSA-N
InChI
InChI=1S/C10H13N/c1-8-10-5-3-2-4-9(10)6-7-11-8/h2-5,8,11H,6-7H2,1H3

Weigh it out

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

Names and synonyms

2 names
  • Isoquinoline, 1,2,3,4-tetrahydro-1-methyl-
  • 1,2,3,4-Tetrahydro-1-methylisoquinoline

Work with 1-Methyl-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-tetrahydroisoquinoline118864-75-856 % similar 1-Phenyl-1,2,3,4-tetrahydro-isoquinoline22990-19-856 % similar 1-(Pyridin-4-yl)-1,2,3,4-tetrahydroisoquinoline180272-43-950 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Phenylpyrrolidine1006-64-0 2,3,4,5-Tetrahydro-1H-benzo[B]azepine1701-57-1 2-Methyltetrahydroquinoline1780-19-4 (S)-1,2,3,4-Tetrahydro-2-naphthylamine21880-87-5 1,2,3,4-Tetrahydro-1-naphthylamine2217-40-5 5,6,7,8-Tetrahydro-1-naphthylamine2217-41-6 (-)-1,2,3,4-Tetrahydro-1-naphthylamine23357-46-2 (+)-1,2,3,4-Tetrahydro-1-naphthylamine23357-52-0

Elsewhere

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