(6R)-2-(2-methoxyethyl)-6-methyl-3,4,6,7-tetrahydro-1H-isoquinoline

C13H21NO — CID 70843731

IUPAC(6R)-2-(2-methoxyethyl)-6-methyl-3,4,6,7-tetrahydro-1H-isoquinoline
SMILESCOCCN1CCC2=C[C@H](C)CC=C2C1
InChIInChI=1S/C13H21NO/c1-11-3-4-13-10-14(7-8-15-2)6-5-12(13)9-11/h4,9,11H,3,5-8,10H2,1-2H3/t11-/m1/s1
InChIKeyZOBNYNHOTUCARY-LLVKDONJSA-N
MW207.32 g/mol
LogP2.23
Rot. Bonds3

About (6R)-2-(2-methoxyethyl)-6-methyl-3,4,6,7-tetrahydro-1H-isoquinoline

(6R)-2-(2-methoxyethyl)-6-methyl-3,4,6,7-tetrahydro-1H-isoquinoline (PubChem CID 70843731) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (6R)-2-(2-methoxyethyl)-6-methyl-3,4,6,7-tetrahydro-1H-isoquinoline.

Molecular Properties

Compound Name(6R)-2-(2-methoxyethyl)-6-methyl-3,4,6,7-tetrahydro-1H-isoquinoline
PubChem CID70843731
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(6R)-2-(2-methoxyethyl)-6-methyl-3,4,6,7-tetrahydro-1H-isoquinoline
SMILESCOCCN1CCC2=C[C@H](C)CC=C2C1
InChIInChI=1S/C13H21NO/c1-11-3-4-13-10-14(7-8-15-2)6-5-12(13)9-11/h4,9,11H,3,5-8,10H2,1-2H3/t11-/m1/s1
InChIKeyZOBNYNHOTUCARY-LLVKDONJSA-N
XLogP2.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6R)-2-(2-methoxyethyl)-6-methyl-3,4,6,7-tetrahydro-1H-isoquinoline?
The IUPAC name of (6R)-2-(2-methoxyethyl)-6-methyl-3,4,6,7-tetrahydro-1H-isoquinoline (CID 70843731) is (6R)-2-(2-methoxyethyl)-6-methyl-3,4,6,7-tetrahydro-1H-isoquinoline.
What is the SMILES notation for (6R)-2-(2-methoxyethyl)-6-methyl-3,4,6,7-tetrahydro-1H-isoquinoline?
The canonical SMILES for (6R)-2-(2-methoxyethyl)-6-methyl-3,4,6,7-tetrahydro-1H-isoquinoline is COCCN1CCC2=C[C@H](C)CC=C2C1.
What is the InChIKey of (6R)-2-(2-methoxyethyl)-6-methyl-3,4,6,7-tetrahydro-1H-isoquinoline?
The InChIKey is ZOBNYNHOTUCARY-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21NO/c1-11-3-4-13-10-14(7-8-15-2)6-5-12(13)9-11/h4,9,11H,3,5-8,10H2,1-2H3/t11-/m1/s1.
What are the key properties of (6R)-2-(2-methoxyethyl)-6-methyl-3,4,6,7-tetrahydro-1H-isoquinoline?
(6R)-2-(2-methoxyethyl)-6-methyl-3,4,6,7-tetrahydro-1H-isoquinoline has a molecular weight of 207.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-(2-methoxyethyl)-6-methyl-3,4,6,7-tetrahydro-1H-isoquinoline is sourced from PubChem (CID 70843731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).