5-[2-(2-methylpropoxy)ethoxy]isoquinolin-8-amine

C15H20N2O2 — CID 106446795

IUPAC5-[2-(2-methylpropoxy)ethoxy]isoquinolin-8-amine
SMILESCC(C)COCCOc1ccc(N)c2cnccc12
InChIInChI=1S/C15H20N2O2/c1-11(2)10-18-7-8-19-15-4-3-14(16)13-9-17-6-5-12(13)15/h3-6,9,11H,7-8,10,16H2,1-2H3
InChIKeyQVXNOCVOBKIPOP-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.87
Rot. Bonds6

About 5-[2-(2-methylpropoxy)ethoxy]isoquinolin-8-amine

5-[2-(2-methylpropoxy)ethoxy]isoquinolin-8-amine (PubChem CID 106446795) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-[2-(2-methylpropoxy)ethoxy]isoquinolin-8-amine.

Molecular Properties

Compound Name5-[2-(2-methylpropoxy)ethoxy]isoquinolin-8-amine
PubChem CID106446795
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name5-[2-(2-methylpropoxy)ethoxy]isoquinolin-8-amine
SMILESCC(C)COCCOc1ccc(N)c2cnccc12
InChIInChI=1S/C15H20N2O2/c1-11(2)10-18-7-8-19-15-4-3-14(16)13-9-17-6-5-12(13)15/h3-6,9,11H,7-8,10,16H2,1-2H3
InChIKeyQVXNOCVOBKIPOP-UHFFFAOYSA-N
XLogP2.87
TPSA57.37 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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[2-(2-methylpropoxy)ethoxy]isoquinolin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(2-methylpropoxy)ethoxy]pyridin-3-amine
CID 106446734
5-[2-(3-methoxypropoxy)ethoxy]isoquinolin-8-amine
CID 103176845
8-propoxyisoquinolin-5-amine
CID 103139869
2-(5-aminoisoquinolin-8-yl)oxyethanol
CID 103139769
8-ethoxyisoquinolin-5-amine
CID 103139590
8-(2,2-difluoroethoxy)isoquinolin-5-amine
CID 103140098
8-(4,4,4-trifluorobutoxy)isoquinolin-5-amine
CID 103140102
4-[2-(3-methylbutoxy)ethoxy]naphthalen-1-amine
CID 63691515
5-[(4-methoxyphenyl)methoxy]isoquinolin-8-amine
CID 43448916
4-fluoro-2-[2-(2-methylpropoxy)ethoxy]aniline
CID 106446718
8-(2,2,2-trifluoroethoxy)isoquinolin-5-amine
CID 103139582
6-(2-methylpropoxy)isoquinolin-5-amine
CID 106948601

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methylpropoxy)ethoxy]isoquinolin-8-amine?
The IUPAC name of 5-[2-(2-methylpropoxy)ethoxy]isoquinolin-8-amine (CID 106446795) is 5-[2-(2-methylpropoxy)ethoxy]isoquinolin-8-amine.
What is the SMILES notation for 5-[2-(2-methylpropoxy)ethoxy]isoquinolin-8-amine?
The canonical SMILES for 5-[2-(2-methylpropoxy)ethoxy]isoquinolin-8-amine is CC(C)COCCOc1ccc(N)c2cnccc12.
What is the InChIKey of 5-[2-(2-methylpropoxy)ethoxy]isoquinolin-8-amine?
The InChIKey is QVXNOCVOBKIPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(2)10-18-7-8-19-15-4-3-14(16)13-9-17-6-5-12(13)15/h3-6,9,11H,7-8,10,16H2,1-2H3.
What are the key properties of 5-[2-(2-methylpropoxy)ethoxy]isoquinolin-8-amine?
5-[2-(2-methylpropoxy)ethoxy]isoquinolin-8-amine has a molecular weight of 260.34 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methylpropoxy)ethoxy]isoquinolin-8-amine is sourced from PubChem (CID 106446795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).