(1S,3R)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol

C12H17NO2 — CID 15060562

IUPAC(1S,3R)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
SMILESCOc1cc(O)c2c(c1)C[C@@H](C)N[C@H]2C
InChIInChI=1S/C12H17NO2/c1-7-4-9-5-10(15-3)6-11(14)12(9)8(2)13-7/h5-8,13-14H,4H2,1-3H3/t7-,8+/m1/s1
InChIKeyKDGAUZZOZVQYPE-SFYZADRCSA-N
MW207.27 g/mol
LogP2.00
Rot. Bonds1

About (1S,3R)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol

(1S,3R)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol (PubChem CID 15060562) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (1S,3R)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol.

Molecular Properties

Compound Name(1S,3R)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
PubChem CID15060562
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(1S,3R)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
SMILESCOc1cc(O)c2c(c1)C[C@@H](C)N[C@H]2C
InChIInChI=1S/C12H17NO2/c1-7-4-9-5-10(15-3)6-11(14)12(9)8(2)13-7/h5-8,13-14H,4H2,1-3H3/t7-,8+/m1/s1
InChIKeyKDGAUZZOZVQYPE-SFYZADRCSA-N
XLogP2.00
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,3R)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol?
The IUPAC name of (1S,3R)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol (CID 15060562) is (1S,3R)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol.
What is the SMILES notation for (1S,3R)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol?
The canonical SMILES for (1S,3R)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol is COc1cc(O)c2c(c1)C[C@@H](C)N[C@H]2C.
What is the InChIKey of (1S,3R)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol?
The InChIKey is KDGAUZZOZVQYPE-SFYZADRCSA-N. The full InChI is InChI=1S/C12H17NO2/c1-7-4-9-5-10(15-3)6-11(14)12(9)8(2)13-7/h5-8,13-14H,4H2,1-3H3/t7-,8+/m1/s1.
What are the key properties of (1S,3R)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol?
(1S,3R)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol has a molecular weight of 207.27 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol is sourced from PubChem (CID 15060562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).