2,7-dimethyl-3,4-dihydro-1H-isoquinolin-4-ol

C11H15NO — CID 138554110

IUPAC2,7-dimethyl-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCc1ccc2c(c1)CN(C)CC2O
InChIInChI=1S/C11H15NO/c1-8-3-4-10-9(5-8)6-12(2)7-11(10)13/h3-5,11,13H,6-7H2,1-2H3
InChIKeyMYMQCADFWFXHBP-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.47
Rot. Bonds

About 2,7-dimethyl-3,4-dihydro-1H-isoquinolin-4-ol

2,7-dimethyl-3,4-dihydro-1H-isoquinolin-4-ol (PubChem CID 138554110) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2,7-dimethyl-3,4-dihydro-1H-isoquinolin-4-ol.

Molecular Properties

Compound Name2,7-dimethyl-3,4-dihydro-1H-isoquinolin-4-ol
PubChem CID138554110
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2,7-dimethyl-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCc1ccc2c(c1)CN(C)CC2O
InChIInChI=1S/C11H15NO/c1-8-3-4-10-9(5-8)6-12(2)7-11(10)13/h3-5,11,13H,6-7H2,1-2H3
InChIKeyMYMQCADFWFXHBP-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,7-dimethyl-3,4-dihydro-1H-isoquinolin-4-ol 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

3,4-dihydro-4-hydroxy-2(1H)-Isoquinolinecarboximidamide
CID 107669
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylethanol
CID 436348
(1,2,3,4-Tetrahydroisoquinolin-7-yl)methanol
CID 10610870
2-[Benzyl(propan-2-yl)amino]-1-naphthalen-2-ylethanol
CID 59570700
4-[Benzyl(propan-2-yl)amino]-1-naphthalen-2-ylbutan-1-ol
CID 59570707
N-Boc-4-hydroxy-3,4-dihydro-1H-isoquinoline
CID 12120566
4-Hydroxy-2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 3081031
1,2,3,4-Tetrahydroisoquinolin-4-ol
CID 11744792
3-[Benzyl(methyl)amino]-1-naphthalen-2-ylpropan-1-ol
CID 59570714
3-[Benzyl(ethyl)amino]-1-naphthalen-2-ylpropan-1-ol
CID 59570784
1-Piperazineethanol, 4-methyl-alpha-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, dihydrochloride
CID 206113
1-(2,4-Dimethylphenyl)-2-methyl-3-(piperidin-1-yl)propan-1-ol--hydrogen chloride (1/1)
CID 214251

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-3,4-dihydro-1H-isoquinolin-4-ol?
The IUPAC name of 2,7-dimethyl-3,4-dihydro-1H-isoquinolin-4-ol (CID 138554110) is 2,7-dimethyl-3,4-dihydro-1H-isoquinolin-4-ol.
What is the SMILES notation for 2,7-dimethyl-3,4-dihydro-1H-isoquinolin-4-ol?
The canonical SMILES for 2,7-dimethyl-3,4-dihydro-1H-isoquinolin-4-ol is Cc1ccc2c(c1)CN(C)CC2O.
What is the InChIKey of 2,7-dimethyl-3,4-dihydro-1H-isoquinolin-4-ol?
The InChIKey is MYMQCADFWFXHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-3-4-10-9(5-8)6-12(2)7-11(10)13/h3-5,11,13H,6-7H2,1-2H3.
What are the key properties of 2,7-dimethyl-3,4-dihydro-1H-isoquinolin-4-ol?
2,7-dimethyl-3,4-dihydro-1H-isoquinolin-4-ol has a molecular weight of 177.25 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-3,4-dihydro-1H-isoquinolin-4-ol is sourced from PubChem (CID 138554110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).