2-[(5-aminoisoquinolin-6-yl)-(2-methoxyethyl)amino]ethanol

C14H19N3O2 — CID 106948402

IUPAC2-[(5-aminoisoquinolin-6-yl)-(2-methoxyethyl)amino]ethanol
SMILESCOCCN(CCO)c1ccc2cnccc2c1N
InChIInChI=1S/C14H19N3O2/c1-19-9-7-17(6-8-18)13-3-2-11-10-16-5-4-12(11)14(13)15/h2-5,10,18H,6-9,15H2,1H3
InChIKeyBDGFBXFYEFGXKZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.26
Rot. Bonds6

About 2-[(5-aminoisoquinolin-6-yl)-(2-methoxyethyl)amino]ethanol

2-[(5-aminoisoquinolin-6-yl)-(2-methoxyethyl)amino]ethanol (PubChem CID 106948402) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[(5-aminoisoquinolin-6-yl)-(2-methoxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-aminoisoquinolin-6-yl)-(2-methoxyethyl)amino]ethanol
PubChem CID106948402
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[(5-aminoisoquinolin-6-yl)-(2-methoxyethyl)amino]ethanol
SMILESCOCCN(CCO)c1ccc2cnccc2c1N
InChIInChI=1S/C14H19N3O2/c1-19-9-7-17(6-8-18)13-3-2-11-10-16-5-4-12(11)14(13)15/h2-5,10,18H,6-9,15H2,1H3
InChIKeyBDGFBXFYEFGXKZ-UHFFFAOYSA-N
XLogP1.26
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-aminoisoquinolin-6-yl)-(2-methoxyethyl)amino]ethanol?
The IUPAC name of 2-[(5-aminoisoquinolin-6-yl)-(2-methoxyethyl)amino]ethanol (CID 106948402) is 2-[(5-aminoisoquinolin-6-yl)-(2-methoxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(5-aminoisoquinolin-6-yl)-(2-methoxyethyl)amino]ethanol?
The canonical SMILES for 2-[(5-aminoisoquinolin-6-yl)-(2-methoxyethyl)amino]ethanol is COCCN(CCO)c1ccc2cnccc2c1N.
What is the InChIKey of 2-[(5-aminoisoquinolin-6-yl)-(2-methoxyethyl)amino]ethanol?
The InChIKey is BDGFBXFYEFGXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-19-9-7-17(6-8-18)13-3-2-11-10-16-5-4-12(11)14(13)15/h2-5,10,18H,6-9,15H2,1H3.
What are the key properties of 2-[(5-aminoisoquinolin-6-yl)-(2-methoxyethyl)amino]ethanol?
2-[(5-aminoisoquinolin-6-yl)-(2-methoxyethyl)amino]ethanol has a molecular weight of 261.32 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-aminoisoquinolin-6-yl)-(2-methoxyethyl)amino]ethanol is sourced from PubChem (CID 106948402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).