[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanol

C11H15NO — CID 139381518

IUPAC[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanol
SMILESC[C@@H]1c2ccccc2CCN1CO
InChIInChI=1S/C11H15NO/c1-9-11-5-3-2-4-10(11)6-7-12(9)8-13/h2-5,9,13H,6-8H2,1H3/t9-/m1/s1
InChIKeyIUFYEOHAGRGPOD-SECBINFHSA-N
MW177.25 g/mol
LogP1.56
Rot. Bonds1

About [(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanol

[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanol (PubChem CID 139381518) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is [(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanol.

Molecular Properties

Compound Name[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanol
PubChem CID139381518
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanol
SMILESC[C@@H]1c2ccccc2CCN1CO
InChIInChI=1S/C11H15NO/c1-9-11-5-3-2-4-10(11)6-7-12(9)8-13/h2-5,9,13H,6-8H2,1H3/t9-/m1/s1
InChIKeyIUFYEOHAGRGPOD-SECBINFHSA-N
XLogP1.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanol?
The IUPAC name of [(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanol (CID 139381518) is [(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanol.
What is the SMILES notation for [(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanol?
The canonical SMILES for [(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanol is C[C@@H]1c2ccccc2CCN1CO.
What is the InChIKey of [(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanol?
The InChIKey is IUFYEOHAGRGPOD-SECBINFHSA-N. The full InChI is InChI=1S/C11H15NO/c1-9-11-5-3-2-4-10(11)6-7-12(9)8-13/h2-5,9,13H,6-8H2,1H3/t9-/m1/s1.
What are the key properties of [(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanol?
[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanol has a molecular weight of 177.25 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanol is sourced from PubChem (CID 139381518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).