6-Methoxy-1,2,3,4-tetrahydroisoquinoline

C₁₀H₁₃NOCAS 42923-77-3163.22 g/mol

Open in Covalent MOL file

Ether Secondary amine

Properties

Molecular formula: C₁₀H₁₃NO
Molar mass: 163.22 g/mol
Exact mass: 163.0997 Da
logP: 1.34Crippen estimate
Polar surface area: 21.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation33.3% of notifiers
H411 Toxic to aquatic life with long lasting effects33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

42923-77-3

SMILES

COc1ccc2c(c1)CCNC2

InChIKey

YYTAYINRPUJPNH-UHFFFAOYSA-N

InChI

InChI=1S/C10H13NO/c1-12-10-3-2-9-7-11-5-4-8(9)6-10/h2-3,6,11H,4-5,7H2,1H3

Weigh it out

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

Names and synonyms

4 names

Isoquinoline, 1,2,3,4-tetrahydro-6-methoxy-
1,2,3,4-Tetrahydro-6-methoxyisoquinoline
Longimammatine
6-Methoxy-3,4-dihydro-1H-isoquinoline

Work with 6-Methoxy-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.

6-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride57196-62-0Salt

Similar compounds

6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline1745-07-961 % similar 5-Methoxy-2,3-dihydro-1H-indole21857-45-457 % similar 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride2328-12-357 % similar 1,2,3,4-Tetrahydroisoquinolin-6-ol14446-24-351 % similar 6-Bromo-1,2,3,4-tetrahydroisoquinoline226942-29-651 % similar 7-Methoxy-3,4-dihydro-2H-isoquinolin-1-one22246-04-450 % similar 6-Methoxy-1,2,3,4-tetrahydronaphthalen-2-one2472-22-248 % similar 6-Bromo-1,2,3,4-tetrahydroisoquinoline hydrochloride215798-19-947 % similar

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

Same formula

6-Methoxy-1,2,3,4-tetrahydroquinoline120-15-0 Formetorex15302-18-8 1-(4-Aminophenyl)-1-butanone1688-71-7 (S)-1,2,3,4-Tetrahydro-3-isoquinolinemethanol18881-17-9 4-Dimethylaminoacetophenone2124-31-4 N-(2,6-Dimethylphenyl)acetamide2198-53-0 N-(3,4-Dimethylphenyl)acetamide2198-54-1 2-(Pyrrolidin-1-yl)phenol4787-77-3

Elsewhere

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