6-(2-methoxyethoxy)-N-methyl-1,2,3,4-tetrahydroisoquinolin-8-amine

C13H20N2O2 — CID 166486051

IUPAC6-(2-methoxyethoxy)-N-methyl-1,2,3,4-tetrahydroisoquinolin-8-amine
SMILESCNc1cc(OCCOC)cc2c1CNCC2
InChIInChI=1S/C13H20N2O2/c1-14-13-8-11(17-6-5-16-2)7-10-3-4-15-9-12(10)13/h7-8,14-15H,3-6,9H2,1-2H3
InChIKeyLVHTVYUMBJPIBW-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.40
Rot. Bonds5

About 6-(2-methoxyethoxy)-N-methyl-1,2,3,4-tetrahydroisoquinolin-8-amine

6-(2-methoxyethoxy)-N-methyl-1,2,3,4-tetrahydroisoquinolin-8-amine (PubChem CID 166486051) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 6-(2-methoxyethoxy)-N-methyl-1,2,3,4-tetrahydroisoquinolin-8-amine.

Molecular Properties

Compound Name6-(2-methoxyethoxy)-N-methyl-1,2,3,4-tetrahydroisoquinolin-8-amine
PubChem CID166486051
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name6-(2-methoxyethoxy)-N-methyl-1,2,3,4-tetrahydroisoquinolin-8-amine
SMILESCNc1cc(OCCOC)cc2c1CNCC2
InChIInChI=1S/C13H20N2O2/c1-14-13-8-11(17-6-5-16-2)7-10-3-4-15-9-12(10)13/h7-8,14-15H,3-6,9H2,1-2H3
InChIKeyLVHTVYUMBJPIBW-UHFFFAOYSA-N
XLogP1.40
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[2-(dimethylamino)ethoxy]-N-[(3R)-oxolan-3-yl]-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 166485937
2-fluoro-5-(2-methoxyethoxy)-N-methylaniline
CID 67812902
7-ethyl-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 138536365
4-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperidin-4-ol
CID 86706610
ethyl 7-(cyclopropylamino)-5-(2-methoxyethoxy)-2,3-dihydro-1H-indole-2-carboxylate
CID 70836192
3-(3,5-dimethylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide
CID 120883364
1-methoxy-3-(2-methoxyethoxy)-5-methylbenzene
CID 59177626
6-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 136576392
methyl 8-methoxy-1,2,3,4-tetrahydroisoquinoline-7-carboxylate
CID 84686653
4,5-bis(2-methoxyethoxy)-2-(methylamino)benzenecarboximidoyl chloride
CID 88938441
2-[(7-fluoro-2,3-dihydro-1H-isoindol-5-yl)oxy]-N,N-dimethylethanamine
CID 175827613
3-(2-methoxyethoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119444759

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethoxy)-N-methyl-1,2,3,4-tetrahydroisoquinolin-8-amine?
The IUPAC name of 6-(2-methoxyethoxy)-N-methyl-1,2,3,4-tetrahydroisoquinolin-8-amine (CID 166486051) is 6-(2-methoxyethoxy)-N-methyl-1,2,3,4-tetrahydroisoquinolin-8-amine.
What is the SMILES notation for 6-(2-methoxyethoxy)-N-methyl-1,2,3,4-tetrahydroisoquinolin-8-amine?
The canonical SMILES for 6-(2-methoxyethoxy)-N-methyl-1,2,3,4-tetrahydroisoquinolin-8-amine is CNc1cc(OCCOC)cc2c1CNCC2.
What is the InChIKey of 6-(2-methoxyethoxy)-N-methyl-1,2,3,4-tetrahydroisoquinolin-8-amine?
The InChIKey is LVHTVYUMBJPIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-14-13-8-11(17-6-5-16-2)7-10-3-4-15-9-12(10)13/h7-8,14-15H,3-6,9H2,1-2H3.
What are the key properties of 6-(2-methoxyethoxy)-N-methyl-1,2,3,4-tetrahydroisoquinolin-8-amine?
6-(2-methoxyethoxy)-N-methyl-1,2,3,4-tetrahydroisoquinolin-8-amine has a molecular weight of 236.31 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethoxy)-N-methyl-1,2,3,4-tetrahydroisoquinolin-8-amine is sourced from PubChem (CID 166486051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).