1-isoquinolin-5-yl-2-methoxypropan-1-amine

C13H16N2O — CID 79617511

IUPAC1-isoquinolin-5-yl-2-methoxypropan-1-amine
SMILESCOC(C)C(N)c1cccc2cnccc12
InChIInChI=1S/C13H16N2O/c1-9(16-2)13(14)12-5-3-4-10-8-15-7-6-11(10)12/h3-9,13H,14H2,1-2H3
InChIKeyYNHOASWGIODXJR-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.27
Rot. Bonds3

About 1-isoquinolin-5-yl-2-methoxypropan-1-amine

1-isoquinolin-5-yl-2-methoxypropan-1-amine (PubChem CID 79617511) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-isoquinolin-5-yl-2-methoxypropan-1-amine.

Molecular Properties

Compound Name1-isoquinolin-5-yl-2-methoxypropan-1-amine
PubChem CID79617511
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-isoquinolin-5-yl-2-methoxypropan-1-amine
SMILESCOC(C)C(N)c1cccc2cnccc12
InChIInChI=1S/C13H16N2O/c1-9(16-2)13(14)12-5-3-4-10-8-15-7-6-11(10)12/h3-9,13H,14H2,1-2H3
InChIKeyYNHOASWGIODXJR-UHFFFAOYSA-N
XLogP2.27
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-isoquinolin-5-yl-2-methylbutan-1-amine
CID 63719434
(1-isoquinolin-5-yl-2-methoxypropyl)hydrazine
CID 105247037
2-cyclopropyl-1-isoquinolin-5-yl-2-methoxyethanamine
CID 116721851
(1S)-1-isoquinolin-5-ylethanol
CID 94831084
(1S)-1-isoquinolin-5-ylpropan-1-amine
CID 55253697
2-ethoxy-1-isoquinolin-5-yl-3,3-dimethylbutan-1-amine
CID 116725171
isoquinolin-5-yl-(3-methoxyphenyl)methanamine
CID 62813526
[isoquinolin-5-yl-(2-methoxyphenyl)methyl]hydrazine
CID 105191223
isoquinolin-5-yl-(4-propan-2-ylcyclohexyl)methanamine
CID 65425147
isoquinolin-5-yl(phenyl)methanamine
CID 55118760
2-amino-2-isoquinolin-5-ylethanol
CID 55271452
1-isoquinolin-5-yl-2-methoxyethanol
CID 62813668

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-5-yl-2-methoxypropan-1-amine?
The IUPAC name of 1-isoquinolin-5-yl-2-methoxypropan-1-amine (CID 79617511) is 1-isoquinolin-5-yl-2-methoxypropan-1-amine.
What is the SMILES notation for 1-isoquinolin-5-yl-2-methoxypropan-1-amine?
The canonical SMILES for 1-isoquinolin-5-yl-2-methoxypropan-1-amine is COC(C)C(N)c1cccc2cnccc12.
What is the InChIKey of 1-isoquinolin-5-yl-2-methoxypropan-1-amine?
The InChIKey is YNHOASWGIODXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9(16-2)13(14)12-5-3-4-10-8-15-7-6-11(10)12/h3-9,13H,14H2,1-2H3.
What are the key properties of 1-isoquinolin-5-yl-2-methoxypropan-1-amine?
1-isoquinolin-5-yl-2-methoxypropan-1-amine has a molecular weight of 216.28 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-5-yl-2-methoxypropan-1-amine is sourced from PubChem (CID 79617511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).