2-(1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)propan-2-ol

C13H19NO — CID 589739

IUPAC2-(1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)propan-2-ol
SMILESCC(C)(O)C1(C)NCCc2ccccc21
InChIInChI=1S/C13H19NO/c1-12(2,15)13(3)11-7-5-4-6-10(11)8-9-14-13/h4-7,14-15H,8-9H2,1-3H3
InChIKeyKPHPOFHKJQMBSR-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.82
Rot. Bonds1

About 2-(1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)propan-2-ol

2-(1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)propan-2-ol (PubChem CID 589739) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-(1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)propan-2-ol
PubChem CID589739
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-(1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)propan-2-ol
SMILESCC(C)(O)C1(C)NCCc2ccccc21
InChIInChI=1S/C13H19NO/c1-12(2,15)13(3)11-7-5-4-6-10(11)8-9-14-13/h4-7,14-15H,8-9H2,1-3H3
InChIKeyKPHPOFHKJQMBSR-UHFFFAOYSA-N
XLogP1.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)propan-2-ol?
The IUPAC name of 2-(1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)propan-2-ol (CID 589739) is 2-(1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)propan-2-ol.
What is the SMILES notation for 2-(1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)propan-2-ol?
The canonical SMILES for 2-(1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)propan-2-ol is CC(C)(O)C1(C)NCCc2ccccc21.
What is the InChIKey of 2-(1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)propan-2-ol?
The InChIKey is KPHPOFHKJQMBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-12(2,15)13(3)11-7-5-4-6-10(11)8-9-14-13/h4-7,14-15H,8-9H2,1-3H3.
What are the key properties of 2-(1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)propan-2-ol?
2-(1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)propan-2-ol has a molecular weight of 205.30 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)propan-2-ol is sourced from PubChem (CID 589739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).