2,3-dimethyl-3,4-dihydro-1H-isoquinolin-8-ol

C11H15NO — CID 145380029

IUPAC2,3-dimethyl-3,4-dihydro-1H-isoquinolin-8-ol
SMILESCC1Cc2cccc(O)c2CN1C
InChIInChI=1S/C11H15NO/c1-8-6-9-4-3-5-11(13)10(9)7-12(8)2/h3-5,8,13H,6-7H2,1-2H3
InChIKeyQKFVUTAMIVLMME-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.77
Rot. Bonds

About 2,3-dimethyl-3,4-dihydro-1H-isoquinolin-8-ol

2,3-dimethyl-3,4-dihydro-1H-isoquinolin-8-ol (PubChem CID 145380029) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2,3-dimethyl-3,4-dihydro-1H-isoquinolin-8-ol.

Molecular Properties

Compound Name2,3-dimethyl-3,4-dihydro-1H-isoquinolin-8-ol
PubChem CID145380029
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2,3-dimethyl-3,4-dihydro-1H-isoquinolin-8-ol
SMILESCC1Cc2cccc(O)c2CN1C
InChIInChI=1S/C11H15NO/c1-8-6-9-4-3-5-11(13)10(9)7-12(8)2/h3-5,8,13H,6-7H2,1-2H3
InChIKeyQKFVUTAMIVLMME-UHFFFAOYSA-N
XLogP1.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline
CID 3052881
(3S)-2,3-dimethyl-3,4-dihydro-1H-isoquinoline
CID 14548165
(3R)-2,3-dimethyl-3,4-dihydro-1H-isoquinoline-6,7-diol
CID 92954178
(3R)-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-ol
CID 95432710
(3aS,9aR)-1-propyl-2,3,3a,4,9,9a-hexahydrobenzo[f]indol-5-ol
CID 10105311
(3aR,9aS)-1-propyl-2,3,3a,4,9,9a-hexahydrobenzo[f]indol-5-ol
CID 10036887
(3aS,9aS)-1-propyl-2,3,3a,4,9,9a-hexahydrobenzo[f]indol-5-ol
CID 11776081
3-methyl-3,4-dihydro-1H-isochromen-5-ol
CID 138550787
3-methyl-1,2,3,4-tetrahydroisoquinolin-5-ol
CID 115063736
2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-4-ol
CID 105471672
(4R)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-ol
CID 71497499
(4-hydroxy-2,3-dihydro-1H-inden-2-yl) acetate
CID 19782175

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3,4-dihydro-1H-isoquinolin-8-ol?
The IUPAC name of 2,3-dimethyl-3,4-dihydro-1H-isoquinolin-8-ol (CID 145380029) is 2,3-dimethyl-3,4-dihydro-1H-isoquinolin-8-ol.
What is the SMILES notation for 2,3-dimethyl-3,4-dihydro-1H-isoquinolin-8-ol?
The canonical SMILES for 2,3-dimethyl-3,4-dihydro-1H-isoquinolin-8-ol is CC1Cc2cccc(O)c2CN1C.
What is the InChIKey of 2,3-dimethyl-3,4-dihydro-1H-isoquinolin-8-ol?
The InChIKey is QKFVUTAMIVLMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-6-9-4-3-5-11(13)10(9)7-12(8)2/h3-5,8,13H,6-7H2,1-2H3.
What are the key properties of 2,3-dimethyl-3,4-dihydro-1H-isoquinolin-8-ol?
2,3-dimethyl-3,4-dihydro-1H-isoquinolin-8-ol has a molecular weight of 177.25 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3,4-dihydro-1H-isoquinolin-8-ol is sourced from PubChem (CID 145380029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).