[1-[2-(2-methoxyethoxy)ethoxy]isoquinolin-3-yl]methanamine

C15H20N2O3 — CID 104566277

IUPAC[1-[2-(2-methoxyethoxy)ethoxy]isoquinolin-3-yl]methanamine
SMILESCOCCOCCOc1nc(CN)cc2ccccc12
InChIInChI=1S/C15H20N2O3/c1-18-6-7-19-8-9-20-15-14-5-3-2-4-12(14)10-13(11-16)17-15/h2-5,10H,6-9,11,16H2,1H3
InChIKeyWKWMSVRMNQEHTB-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.74
Rot. Bonds8

About [1-[2-(2-methoxyethoxy)ethoxy]isoquinolin-3-yl]methanamine

[1-[2-(2-methoxyethoxy)ethoxy]isoquinolin-3-yl]methanamine (PubChem CID 104566277) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is [1-[2-(2-methoxyethoxy)ethoxy]isoquinolin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(2-methoxyethoxy)ethoxy]isoquinolin-3-yl]methanamine
PubChem CID104566277
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name[1-[2-(2-methoxyethoxy)ethoxy]isoquinolin-3-yl]methanamine
SMILESCOCCOCCOc1nc(CN)cc2ccccc12
InChIInChI=1S/C15H20N2O3/c1-18-6-7-19-8-9-20-15-14-5-3-2-4-12(14)10-13(11-16)17-15/h2-5,10H,6-9,11,16H2,1H3
InChIKeyWKWMSVRMNQEHTB-UHFFFAOYSA-N
XLogP1.74
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1-ethoxyisoquinolin-3-yl)methanamine
CID 62290468
[1-(3-methoxypropoxy)isoquinolin-3-yl]methanol
CID 61258186
N-[[1-(3-methoxypropoxy)isoquinolin-3-yl]methyl]propan-1-amine
CID 62288617
[1-[(4-chlorophenyl)methoxy]isoquinolin-3-yl]methanamine
CID 65125880
[1-(2-bromophenoxy)isoquinolin-3-yl]methanamine
CID 62298264
[1-(2-fluorophenoxy)isoquinolin-3-yl]methanamine
CID 62298170
4-[2-(2-methoxyethoxy)ethoxy]quinazoline-2-carboxylic acid
CID 104560492
[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]isoquinolin-3-yl]methanol
CID 115942389
3-[3-(hydroxymethyl)isoquinolin-1-yl]oxypropan-1-ol
CID 61255721
(1-cyclobutyloxyisoquinolin-3-yl)methanamine
CID 62286989
[1-[2-(dimethylamino)ethoxy]isoquinolin-3-yl]methanol
CID 61254873
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 104559788

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-methoxyethoxy)ethoxy]isoquinolin-3-yl]methanamine?
The IUPAC name of [1-[2-(2-methoxyethoxy)ethoxy]isoquinolin-3-yl]methanamine (CID 104566277) is [1-[2-(2-methoxyethoxy)ethoxy]isoquinolin-3-yl]methanamine.
What is the SMILES notation for [1-[2-(2-methoxyethoxy)ethoxy]isoquinolin-3-yl]methanamine?
The canonical SMILES for [1-[2-(2-methoxyethoxy)ethoxy]isoquinolin-3-yl]methanamine is COCCOCCOc1nc(CN)cc2ccccc12.
What is the InChIKey of [1-[2-(2-methoxyethoxy)ethoxy]isoquinolin-3-yl]methanamine?
The InChIKey is WKWMSVRMNQEHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-18-6-7-19-8-9-20-15-14-5-3-2-4-12(14)10-13(11-16)17-15/h2-5,10H,6-9,11,16H2,1H3.
What are the key properties of [1-[2-(2-methoxyethoxy)ethoxy]isoquinolin-3-yl]methanamine?
[1-[2-(2-methoxyethoxy)ethoxy]isoquinolin-3-yl]methanamine has a molecular weight of 276.34 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-methoxyethoxy)ethoxy]isoquinolin-3-yl]methanamine is sourced from PubChem (CID 104566277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).