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

C11H15NO — CID 84717936

IUPAC1,1-dimethyl-3,4-dihydro-2H-isoquinolin-7-ol
SMILESCC1(C)NCCc2ccc(O)cc21
InChIInChI=1S/C11H15NO/c1-11(2)10-7-9(13)4-3-8(10)5-6-12-11/h3-4,7,12-13H,5-6H2,1-2H3
InChIKeyVAGOAMAYMPPEKF-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.77
Rot. Bonds

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

1,1-dimethyl-3,4-dihydro-2H-isoquinolin-7-ol (PubChem CID 84717936) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1,1-dimethyl-3,4-dihydro-2H-isoquinolin-7-ol.

Molecular Properties

Compound Name1,1-dimethyl-3,4-dihydro-2H-isoquinolin-7-ol
PubChem CID84717936
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1,1-dimethyl-3,4-dihydro-2H-isoquinolin-7-ol
SMILESCC1(C)NCCc2ccc(O)cc21
InChIInChI=1S/C11H15NO/c1-11(2)10-7-9(13)4-3-8(10)5-6-12-11/h3-4,7,12-13H,5-6H2,1-2H3
InChIKeyVAGOAMAYMPPEKF-UHFFFAOYSA-N
XLogP1.77
TPSA32.26 Ų
H-Bond Donors2
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 ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3,4-dihydro-2H-isoquinolin-7-ol?
The IUPAC name of 1,1-dimethyl-3,4-dihydro-2H-isoquinolin-7-ol (CID 84717936) is 1,1-dimethyl-3,4-dihydro-2H-isoquinolin-7-ol.
What is the SMILES notation for 1,1-dimethyl-3,4-dihydro-2H-isoquinolin-7-ol?
The canonical SMILES for 1,1-dimethyl-3,4-dihydro-2H-isoquinolin-7-ol is CC1(C)NCCc2ccc(O)cc21.
What is the InChIKey of 1,1-dimethyl-3,4-dihydro-2H-isoquinolin-7-ol?
The InChIKey is VAGOAMAYMPPEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-11(2)10-7-9(13)4-3-8(10)5-6-12-11/h3-4,7,12-13H,5-6H2,1-2H3.
What are the key properties of 1,1-dimethyl-3,4-dihydro-2H-isoquinolin-7-ol?
1,1-dimethyl-3,4-dihydro-2H-isoquinolin-7-ol has a molecular weight of 177.25 g/mol, XLogP of 1.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3,4-dihydro-2H-isoquinolin-7-ol is sourced from PubChem (CID 84717936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).