chempirical

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

C10H13NOCAS 120-15-0163.22 g/mol

Open in Covalent MOL file
ONH
EtherSecondary amine

Properties

Molecular formula
C10H13NO
Molar mass
163.22 g/mol
Exact mass
163.0997 Da
Melting point
42.5 °C
Boiling point
284 °C
logP
2.05Crippen estimate
Polar surface area
21.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
120-15-0
SMILES
COc1ccc2c(c1)CCCN2
InChIKey
FRXSZNDVFUDTIR-UHFFFAOYSA-N
InChI
InChI=1S/C10H13NO/c1-12-9-4-5-10-8(7-9)3-2-6-11-10/h4-5,7,11H,2-3,6H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • Quinoline, 1,2,3,4-tetrahydro-6-methoxy-
  • Thalline
  • 1,2,3,4-Tetrahydro-6-methoxyquinoline
  • Thallin
  • 6-Methoxytetrahydroquinoline
  • NSC 49188

Work with 6-Methoxy-1,2,3,4-tetrahydroquinoline

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Methoxy-2,3-dihydro-1H-indole21857-45-483 % similar 6-Methyl-1,2,3,4-tetrahydroquinoline91-61-256 % similar 6-Methoxy-3,4-dihydro-1H-quinolin-2-one54197-64-753 % similar 6''-Amino-1,2,3,4-tetrahydroquinoline103796-41-451 % similar 6-Bromo-1,2,3,4-tetrahydroquinoline22190-35-851 % similar 1,2,3,4-Tetrahydroquinolin-6-ol3373-00-051 % similar 6-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride57196-62-048 % similar 6-Methoxy-1-tetralone1078-19-946 % similar

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

Same formula

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 6-Methoxy-1,2,3,4-tetrahydroisoquinoline42923-77-3 2-(Pyrrolidin-1-yl)phenol4787-77-3

Elsewhere

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