1-isoquinolin-5-yl-N-methyl-2-propan-2-yloxyethanamine

C15H20N2O — CID 105143463

IUPAC1-isoquinolin-5-yl-N-methyl-2-propan-2-yloxyethanamine
SMILESCNC(COC(C)C)c1cccc2cnccc12
InChIInChI=1S/C15H20N2O/c1-11(2)18-10-15(16-3)14-6-4-5-12-9-17-8-7-13(12)14/h4-9,11,15-16H,10H2,1-3H3
InChIKeyTZKONUIQOHWLDE-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.92
Rot. Bonds5

About 1-isoquinolin-5-yl-N-methyl-2-propan-2-yloxyethanamine

1-isoquinolin-5-yl-N-methyl-2-propan-2-yloxyethanamine (PubChem CID 105143463) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-isoquinolin-5-yl-N-methyl-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name1-isoquinolin-5-yl-N-methyl-2-propan-2-yloxyethanamine
PubChem CID105143463
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-isoquinolin-5-yl-N-methyl-2-propan-2-yloxyethanamine
SMILESCNC(COC(C)C)c1cccc2cnccc12
InChIInChI=1S/C15H20N2O/c1-11(2)18-10-15(16-3)14-6-4-5-12-9-17-8-7-13(12)14/h4-9,11,15-16H,10H2,1-3H3
InChIKeyTZKONUIQOHWLDE-UHFFFAOYSA-N
XLogP2.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-isoquinolin-5-yl-2-propan-2-yloxyethanamine
CID 105143581
1-isoquinolin-5-yl-2-methoxy-N-methylethanamine
CID 62814012
3-(furan-2-yl)-1-isoquinolin-5-yl-N-methylpropan-1-amine
CID 105143514
1-(3-methoxy-4-pyridinyl)-N-methyl-2-propan-2-yloxyethanamine
CID 105065859
4-isoquinolin-5-yl-N-methylpentan-2-amine
CID 64719637
1-isoquinolin-8-yl-N-methylpropan-1-amine
CID 103136782
2-cyclohexylsulfanyl-1-isoquinolin-5-yl-N-methylethanamine
CID 65139457
(1S)-1-isoquinolin-5-ylethanol
CID 94831084
(1-isoquinolin-5-yl-2-methylsulfanylethyl)hydrazine
CID 105213991
1-isoquinolin-8-yl-N-methylbutan-1-amine
CID 103136371
1-isoquinolin-5-yl-2-methylbutan-1-amine
CID 63719434
1-isoquinolin-5-yl-2-methoxyethanol
CID 62813668

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-5-yl-N-methyl-2-propan-2-yloxyethanamine?
The IUPAC name of 1-isoquinolin-5-yl-N-methyl-2-propan-2-yloxyethanamine (CID 105143463) is 1-isoquinolin-5-yl-N-methyl-2-propan-2-yloxyethanamine.
What is the SMILES notation for 1-isoquinolin-5-yl-N-methyl-2-propan-2-yloxyethanamine?
The canonical SMILES for 1-isoquinolin-5-yl-N-methyl-2-propan-2-yloxyethanamine is CNC(COC(C)C)c1cccc2cnccc12.
What is the InChIKey of 1-isoquinolin-5-yl-N-methyl-2-propan-2-yloxyethanamine?
The InChIKey is TZKONUIQOHWLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11(2)18-10-15(16-3)14-6-4-5-12-9-17-8-7-13(12)14/h4-9,11,15-16H,10H2,1-3H3.
What are the key properties of 1-isoquinolin-5-yl-N-methyl-2-propan-2-yloxyethanamine?
1-isoquinolin-5-yl-N-methyl-2-propan-2-yloxyethanamine has a molecular weight of 244.34 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-5-yl-N-methyl-2-propan-2-yloxyethanamine is sourced from PubChem (CID 105143463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).