2-[[3-(hydroxymethyl)isoquinolin-1-yl]-propylamino]ethanol

C15H20N2O2 — CID 61425106

IUPAC2-[[3-(hydroxymethyl)isoquinolin-1-yl]-propylamino]ethanol
SMILESCCCN(CCO)c1nc(CO)cc2ccccc12
InChIInChI=1S/C15H20N2O2/c1-2-7-17(8-9-18)15-14-6-4-3-5-12(14)10-13(11-19)16-15/h3-6,10,18-19H,2,7-9,11H2,1H3
InChIKeyDMUIRUWERDSYJT-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.94
Rot. Bonds6

About 2-[[3-(hydroxymethyl)isoquinolin-1-yl]-propylamino]ethanol

2-[[3-(hydroxymethyl)isoquinolin-1-yl]-propylamino]ethanol (PubChem CID 61425106) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[[3-(hydroxymethyl)isoquinolin-1-yl]-propylamino]ethanol.

Molecular Properties

Compound Name2-[[3-(hydroxymethyl)isoquinolin-1-yl]-propylamino]ethanol
PubChem CID61425106
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-[[3-(hydroxymethyl)isoquinolin-1-yl]-propylamino]ethanol
SMILESCCCN(CCO)c1nc(CO)cc2ccccc12
InChIInChI=1S/C15H20N2O2/c1-2-7-17(8-9-18)15-14-6-4-3-5-12(14)10-13(11-19)16-15/h3-6,10,18-19H,2,7-9,11H2,1H3
InChIKeyDMUIRUWERDSYJT-UHFFFAOYSA-N
XLogP1.94
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(hydroxymethyl)isoquinolin-1-yl]-propylamino]ethanol?
The IUPAC name of 2-[[3-(hydroxymethyl)isoquinolin-1-yl]-propylamino]ethanol (CID 61425106) is 2-[[3-(hydroxymethyl)isoquinolin-1-yl]-propylamino]ethanol.
What is the SMILES notation for 2-[[3-(hydroxymethyl)isoquinolin-1-yl]-propylamino]ethanol?
The canonical SMILES for 2-[[3-(hydroxymethyl)isoquinolin-1-yl]-propylamino]ethanol is CCCN(CCO)c1nc(CO)cc2ccccc12.
What is the InChIKey of 2-[[3-(hydroxymethyl)isoquinolin-1-yl]-propylamino]ethanol?
The InChIKey is DMUIRUWERDSYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-7-17(8-9-18)15-14-6-4-3-5-12(14)10-13(11-19)16-15/h3-6,10,18-19H,2,7-9,11H2,1H3.
What are the key properties of 2-[[3-(hydroxymethyl)isoquinolin-1-yl]-propylamino]ethanol?
2-[[3-(hydroxymethyl)isoquinolin-1-yl]-propylamino]ethanol has a molecular weight of 260.34 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(hydroxymethyl)isoquinolin-1-yl]-propylamino]ethanol is sourced from PubChem (CID 61425106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).