(1R)-2-hydroxy-1-methyl-3,4-dihydro-1H-isoquinoline

C10H13NO — CID 14951933

IUPAC(1R)-2-hydroxy-1-methyl-3,4-dihydro-1H-isoquinoline
SMILESC[C@@H]1c2ccccc2CCN1O
InChIInChI=1S/C10H13NO/c1-8-10-5-3-2-4-9(10)6-7-11(8)12/h2-5,8,12H,6-7H2,1H3/t8-/m1/s1
InChIKeyWWFQVNDUKXWHMC-MRVPVSSYSA-N
MW163.22 g/mol
LogP1.99
Rot. Bonds

About (1R)-2-hydroxy-1-methyl-3,4-dihydro-1H-isoquinoline

(1R)-2-hydroxy-1-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 14951933) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (1R)-2-hydroxy-1-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name(1R)-2-hydroxy-1-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID14951933
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(1R)-2-hydroxy-1-methyl-3,4-dihydro-1H-isoquinoline
SMILESC[C@@H]1c2ccccc2CCN1O
InChIInChI=1S/C10H13NO/c1-8-10-5-3-2-4-9(10)6-7-11(8)12/h2-5,8,12H,6-7H2,1H3/t8-/m1/s1
InChIKeyWWFQVNDUKXWHMC-MRVPVSSYSA-N
XLogP1.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3,4-dihydro-1H-isoquinolin-2-amine
CID 23043046
[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanol
CID 139381518
(1S)-2-(3,5-dimethylphenyl)-1-methyl-3,4-dihydro-1H-isoquinoline
CID 175310429
(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)carbamic acid
CID 54262288
sodium 1-methyl-3,4-dihydro-1H-isoquinoline-2-carbodithioate
CID 71677706
2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 69387751
(3,4-dimethylphenyl)-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 59934246
N-hydroxy-N-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanimidamide
CID 148548233
(1R)-2-benzylsulfonyl-1-methyl-3,4-dihydro-1H-isoquinoline
CID 153432800
3,5-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one;ethane
CID 90705389
1-methyl-2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline
CID 153364917
furan-2-yl-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 42710493

Frequently Asked Questions

What is the IUPAC name of (1R)-2-hydroxy-1-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of (1R)-2-hydroxy-1-methyl-3,4-dihydro-1H-isoquinoline (CID 14951933) is (1R)-2-hydroxy-1-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for (1R)-2-hydroxy-1-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for (1R)-2-hydroxy-1-methyl-3,4-dihydro-1H-isoquinoline is C[C@@H]1c2ccccc2CCN1O.
What is the InChIKey of (1R)-2-hydroxy-1-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is WWFQVNDUKXWHMC-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13NO/c1-8-10-5-3-2-4-9(10)6-7-11(8)12/h2-5,8,12H,6-7H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-2-hydroxy-1-methyl-3,4-dihydro-1H-isoquinoline?
(1R)-2-hydroxy-1-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 163.22 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-hydroxy-1-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 14951933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).