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

C11H15NO2 — CID 22864084

IUPAC(3R)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
SMILESCC1N[C@H](C)Cc2cc(O)cc(O)c21
InChIInChI=1S/C11H15NO2/c1-6-3-8-4-9(13)5-10(14)11(8)7(2)12-6/h4-7,12-14H,3H2,1-2H3/t6-,7?/m1/s1
InChIKeyXQNMFZHTIUPCRA-ULUSZKPHSA-N
MW193.25 g/mol
LogP1.69
Rot. Bonds

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

(3R)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol (PubChem CID 22864084) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (3R)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol.

Molecular Properties

Compound Name(3R)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
PubChem CID22864084
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(3R)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
SMILESCC1N[C@H](C)Cc2cc(O)cc(O)c21
InChIInChI=1S/C11H15NO2/c1-6-3-8-4-9(13)5-10(14)11(8)7(2)12-6/h4-7,12-14H,3H2,1-2H3/t6-,7?/m1/s1
InChIKeyXQNMFZHTIUPCRA-ULUSZKPHSA-N
XLogP1.69
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,3R)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 15060562
(1S,3S)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 11790412
(1S,3S)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 10845999
1-methyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
CID 84656928
(3R)-6,8-dimethoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 122394142
(1R,3R)-5-bromo-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 132500910
7-chloro-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 83970609
7-[4-hydroxy-3-[1-hydroxy-4-(6-hydroxy-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-8-methoxy-6-methylnaphthalen-2-yl]-5-methoxy-7-methylnaphthalen-1-yl]-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 73079738
(1R,3R)-7-(5-hydroxy-4-methoxy-2-methylnaphthalen-1-yl)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 10384109
(2R)-5,7-dihydroxy-2-methyl-2,3-dihydro-1H-quinolin-4-one
CID 12903425
3-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 83970735
2-[(1R,3R)-3-(aminomethyl)-2,2-dimethylcyclopropyl]benzene-1,3,5-triol
CID 178197152

Frequently Asked Questions

What is the IUPAC name of (3R)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol?
The IUPAC name of (3R)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol (CID 22864084) is (3R)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol.
What is the SMILES notation for (3R)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol?
The canonical SMILES for (3R)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol is CC1N[C@H](C)Cc2cc(O)cc(O)c21.
What is the InChIKey of (3R)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol?
The InChIKey is XQNMFZHTIUPCRA-ULUSZKPHSA-N. The full InChI is InChI=1S/C11H15NO2/c1-6-3-8-4-9(13)5-10(14)11(8)7(2)12-6/h4-7,12-14H,3H2,1-2H3/t6-,7?/m1/s1.
What are the key properties of (3R)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol?
(3R)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol has a molecular weight of 193.25 g/mol, XLogP of 1.69, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol is sourced from PubChem (CID 22864084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).