2-(3,4-dihydroisoquinolin-1-yl)propan-2-ol

C12H15NO — CID 141220935

IUPAC2-(3,4-dihydroisoquinolin-1-yl)propan-2-ol
SMILESCC(C)(O)C1=NCCc2ccccc21
InChIInChI=1S/C12H15NO/c1-12(2,14)11-10-6-4-3-5-9(10)7-8-13-11/h3-6,14H,7-8H2,1-2H3
InChIKeyUCPRIPMGBPJVEI-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.80
Rot. Bonds1

About 2-(3,4-dihydroisoquinolin-1-yl)propan-2-ol

2-(3,4-dihydroisoquinolin-1-yl)propan-2-ol (PubChem CID 141220935) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-(3,4-dihydroisoquinolin-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-(3,4-dihydroisoquinolin-1-yl)propan-2-ol
PubChem CID141220935
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2-(3,4-dihydroisoquinolin-1-yl)propan-2-ol
SMILESCC(C)(O)C1=NCCc2ccccc21
InChIInChI=1S/C12H15NO/c1-12(2,14)11-10-6-4-3-5-9(10)7-8-13-11/h3-6,14H,7-8H2,1-2H3
InChIKeyUCPRIPMGBPJVEI-UHFFFAOYSA-N
XLogP1.80
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroisoquinolin-1-yl)propan-2-ol?
The IUPAC name of 2-(3,4-dihydroisoquinolin-1-yl)propan-2-ol (CID 141220935) is 2-(3,4-dihydroisoquinolin-1-yl)propan-2-ol.
What is the SMILES notation for 2-(3,4-dihydroisoquinolin-1-yl)propan-2-ol?
The canonical SMILES for 2-(3,4-dihydroisoquinolin-1-yl)propan-2-ol is CC(C)(O)C1=NCCc2ccccc21.
What is the InChIKey of 2-(3,4-dihydroisoquinolin-1-yl)propan-2-ol?
The InChIKey is UCPRIPMGBPJVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-12(2,14)11-10-6-4-3-5-9(10)7-8-13-11/h3-6,14H,7-8H2,1-2H3.
What are the key properties of 2-(3,4-dihydroisoquinolin-1-yl)propan-2-ol?
2-(3,4-dihydroisoquinolin-1-yl)propan-2-ol has a molecular weight of 189.26 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroisoquinolin-1-yl)propan-2-ol is sourced from PubChem (CID 141220935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).