1-isoquinolin-5-yl-2-methoxy-N-methylethanamine

C13H16N2O — CID 62814012

IUPAC1-isoquinolin-5-yl-2-methoxy-N-methylethanamine
SMILESCNC(COC)c1cccc2cnccc12
InChIInChI=1S/C13H16N2O/c1-14-13(9-16-2)12-5-3-4-10-8-15-7-6-11(10)12/h3-8,13-14H,9H2,1-2H3
InChIKeyRMDHQCPFEIPRLO-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.14
Rot. Bonds4

About 1-isoquinolin-5-yl-2-methoxy-N-methylethanamine

1-isoquinolin-5-yl-2-methoxy-N-methylethanamine (PubChem CID 62814012) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-isoquinolin-5-yl-2-methoxy-N-methylethanamine.

Molecular Properties

Compound Name1-isoquinolin-5-yl-2-methoxy-N-methylethanamine
PubChem CID62814012
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-isoquinolin-5-yl-2-methoxy-N-methylethanamine
SMILESCNC(COC)c1cccc2cnccc12
InChIInChI=1S/C13H16N2O/c1-14-13(9-16-2)12-5-3-4-10-8-15-7-6-11(10)12/h3-8,13-14H,9H2,1-2H3
InChIKeyRMDHQCPFEIPRLO-UHFFFAOYSA-N
XLogP2.14
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-isoquinolin-5-yl-N-methyl-2-propan-2-yloxyethanamine
CID 105143463
1-isoquinolin-5-yl-2-methoxyethanol
CID 62813668
3-(furan-2-yl)-1-isoquinolin-5-yl-N-methylpropan-1-amine
CID 105143514
N-ethyl-1-isoquinolin-5-yl-2-propan-2-yloxyethanamine
CID 105143581
1-isoquinolin-8-yl-N-methylpropan-1-amine
CID 103136782
4-isoquinolin-5-yl-N-methylpentan-2-amine
CID 64719637
2-cyclohexylsulfanyl-1-isoquinolin-5-yl-N-methylethanamine
CID 65139457
(1-isoquinolin-5-yl-2-methylsulfanylethyl)hydrazine
CID 105213991
4-ethoxy-N-ethyl-1-isoquinolin-5-ylbutan-1-amine
CID 105143482
1-isoquinolin-8-yl-N-methylbutan-1-amine
CID 103136371
1-isoquinolin-5-yl-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 115853007
[isoquinolin-5-yl-(2-methoxyphenyl)methyl]hydrazine
CID 105191223

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-5-yl-2-methoxy-N-methylethanamine?
The IUPAC name of 1-isoquinolin-5-yl-2-methoxy-N-methylethanamine (CID 62814012) is 1-isoquinolin-5-yl-2-methoxy-N-methylethanamine.
What is the SMILES notation for 1-isoquinolin-5-yl-2-methoxy-N-methylethanamine?
The canonical SMILES for 1-isoquinolin-5-yl-2-methoxy-N-methylethanamine is CNC(COC)c1cccc2cnccc12.
What is the InChIKey of 1-isoquinolin-5-yl-2-methoxy-N-methylethanamine?
The InChIKey is RMDHQCPFEIPRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-14-13(9-16-2)12-5-3-4-10-8-15-7-6-11(10)12/h3-8,13-14H,9H2,1-2H3.
What are the key properties of 1-isoquinolin-5-yl-2-methoxy-N-methylethanamine?
1-isoquinolin-5-yl-2-methoxy-N-methylethanamine has a molecular weight of 216.28 g/mol, XLogP of 2.14, 4 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-methoxy-N-methylethanamine is sourced from PubChem (CID 62814012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).