chempirical

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

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 Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

2-Methyltetrahydroquinoline1780-19-4 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 2-Aminotetralin2954-50-9 1-Phenylpyrrolidine4096-21-3 6-Methyl-1,2,3,4-tetrahydroquinoline91-61-2

Elsewhere

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