(3R)-6,8-dimethoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline

C13H19NO2 — CID 122394142

IUPAC(3R)-6,8-dimethoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(c(OC)c1)C(C)N[C@H](C)C2
InChIInChI=1S/C13H19NO2/c1-8-5-10-6-11(15-3)7-12(16-4)13(10)9(2)14-8/h6-9,14H,5H2,1-4H3/t8-,9?/m1/s1
InChIKeyVRGRFDNHLOPXIW-VEDVMXKPSA-N
MW221.30 g/mol
LogP2.30
Rot. Bonds2

About (3R)-6,8-dimethoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline

(3R)-6,8-dimethoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 122394142) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (3R)-6,8-dimethoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(3R)-6,8-dimethoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID122394142
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(3R)-6,8-dimethoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(c(OC)c1)C(C)N[C@H](C)C2
InChIInChI=1S/C13H19NO2/c1-8-5-10-6-11(15-3)7-12(16-4)13(10)9(2)14-8/h6-9,14H,5H2,1-4H3/t8-,9?/m1/s1
InChIKeyVRGRFDNHLOPXIW-VEDVMXKPSA-N
XLogP2.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-6,8-dimethoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (3R)-6,8-dimethoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline (CID 122394142) is (3R)-6,8-dimethoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (3R)-6,8-dimethoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (3R)-6,8-dimethoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline is COc1cc2c(c(OC)c1)C(C)N[C@H](C)C2.
What is the InChIKey of (3R)-6,8-dimethoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is VRGRFDNHLOPXIW-VEDVMXKPSA-N. The full InChI is InChI=1S/C13H19NO2/c1-8-5-10-6-11(15-3)7-12(16-4)13(10)9(2)14-8/h6-9,14H,5H2,1-4H3/t8-,9?/m1/s1.
What are the key properties of (3R)-6,8-dimethoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline?
(3R)-6,8-dimethoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 221.30 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6,8-dimethoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 122394142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).