2-[(5-methoxyisoquinolin-1-yl)-propylamino]ethanol

C15H20N2O2 — CID 106541421

IUPAC2-[(5-methoxyisoquinolin-1-yl)-propylamino]ethanol
SMILESCCCN(CCO)c1nccc2c(OC)cccc12
InChIInChI=1S/C15H20N2O2/c1-3-9-17(10-11-18)15-13-5-4-6-14(19-2)12(13)7-8-16-15/h4-8,18H,3,9-11H2,1-2H3
InChIKeyIHJLENJGFJXDOL-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.45
Rot. Bonds6

About 2-[(5-methoxyisoquinolin-1-yl)-propylamino]ethanol

2-[(5-methoxyisoquinolin-1-yl)-propylamino]ethanol (PubChem CID 106541421) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[(5-methoxyisoquinolin-1-yl)-propylamino]ethanol.

Molecular Properties

Compound Name2-[(5-methoxyisoquinolin-1-yl)-propylamino]ethanol
PubChem CID106541421
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-[(5-methoxyisoquinolin-1-yl)-propylamino]ethanol
SMILESCCCN(CCO)c1nccc2c(OC)cccc12
InChIInChI=1S/C15H20N2O2/c1-3-9-17(10-11-18)15-13-5-4-6-14(19-2)12(13)7-8-16-15/h4-8,18H,3,9-11H2,1-2H3
InChIKeyIHJLENJGFJXDOL-UHFFFAOYSA-N
XLogP2.45
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-hydroxyethyl-(5-methoxyisoquinolin-1-yl)amino]ethanol
CID 106541407
N'-(5-methoxyisoquinolin-1-yl)-N-methyl-N'-propylethane-1,2-diamine
CID 106542327
N-butyl-N-(2-chloroethyl)-5-methoxyisoquinolin-1-amine
CID 106542513
methyl 3-[ethyl-(5-methoxyisoquinolin-1-yl)amino]propanoate
CID 106541919
2-[(5-bromoisoquinolin-1-yl)-butylamino]ethanol
CID 106541425
3-[2-methoxyethyl-(5-methoxyisoquinolin-1-yl)amino]propanenitrile
CID 106536675
5-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine
CID 106540583
2-[(5-methoxyisoquinolin-1-yl)-prop-2-ynylamino]acetic acid
CID 106536317
2-[(5-methoxyisoquinolin-1-yl)-methylamino]acetic acid
CID 82571004
4-[(5-methoxyisoquinolin-1-yl)-methylamino]butanoic acid
CID 106535941
2-[propyl(thieno[3,2-c]pyridin-4-yl)amino]ethanol
CID 61425977
2-[(3-fluoro-2-pyridinyl)-propylamino]ethanol
CID 62734185

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxyisoquinolin-1-yl)-propylamino]ethanol?
The IUPAC name of 2-[(5-methoxyisoquinolin-1-yl)-propylamino]ethanol (CID 106541421) is 2-[(5-methoxyisoquinolin-1-yl)-propylamino]ethanol.
What is the SMILES notation for 2-[(5-methoxyisoquinolin-1-yl)-propylamino]ethanol?
The canonical SMILES for 2-[(5-methoxyisoquinolin-1-yl)-propylamino]ethanol is CCCN(CCO)c1nccc2c(OC)cccc12.
What is the InChIKey of 2-[(5-methoxyisoquinolin-1-yl)-propylamino]ethanol?
The InChIKey is IHJLENJGFJXDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-9-17(10-11-18)15-13-5-4-6-14(19-2)12(13)7-8-16-15/h4-8,18H,3,9-11H2,1-2H3.
What are the key properties of 2-[(5-methoxyisoquinolin-1-yl)-propylamino]ethanol?
2-[(5-methoxyisoquinolin-1-yl)-propylamino]ethanol has a molecular weight of 260.34 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxyisoquinolin-1-yl)-propylamino]ethanol is sourced from PubChem (CID 106541421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).