1-(6,7-dimethoxyisoquinolin-1-yl)-N-methylmethanamine

C13H16N2O2 — CID 116995176

IUPAC1-(6,7-dimethoxyisoquinolin-1-yl)-N-methylmethanamine
SMILESCNCc1nccc2cc(OC)c(OC)cc12
InChIInChI=1S/C13H16N2O2/c1-14-8-11-10-7-13(17-3)12(16-2)6-9(10)4-5-15-11/h4-7,14H,8H2,1-3H3
InChIKeySDEYVEHMZKMSQZ-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.97
Rot. Bonds4

About 1-(6,7-dimethoxyisoquinolin-1-yl)-N-methylmethanamine

1-(6,7-dimethoxyisoquinolin-1-yl)-N-methylmethanamine (PubChem CID 116995176) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-(6,7-dimethoxyisoquinolin-1-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6,7-dimethoxyisoquinolin-1-yl)-N-methylmethanamine
PubChem CID116995176
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-(6,7-dimethoxyisoquinolin-1-yl)-N-methylmethanamine
SMILESCNCc1nccc2cc(OC)c(OC)cc12
InChIInChI=1S/C13H16N2O2/c1-14-8-11-10-7-13(17-3)12(16-2)6-9(10)4-5-15-11/h4-7,14H,8H2,1-3H3
InChIKeySDEYVEHMZKMSQZ-UHFFFAOYSA-N
XLogP1.97
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6,7-dimethoxyisoquinolin-1-yl)ethanol
CID 116995192
1-[(3,4-dimethylphenyl)methyl]-6,7-dimethoxyisoquinoline
CID 153397750
tert-butyl N-[(6,7-dimethoxyisoquinolin-1-yl)methyl]carbamate
CID 141101320
6,7-dimethoxy-1-methylisoquinoline
CID 20725
4-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-2-methoxybenzaldehyde
CID 135290952
(6,7-dimethoxyisoquinolin-1-yl)hydrazine
CID 103840464
6,7-dimethoxy-1-[(3-propan-2-yloxyphenyl)methyl]isoquinoline
CID 150556575
(7-fluoro-6-methoxyisoquinolin-1-yl)methanamine
CID 82396051
N-(2,2-dimethylpropyl)-6,7-dimethoxyisoquinolin-1-amine
CID 106537879
7-(2-fluoroethoxy)-1-[(2-fluoro-4-methoxyphenyl)methyl]-6-methoxyisoquinoline
CID 54769353
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-8-ol
CID 174897371
2-(6,7-dimethoxyisoquinolin-1-yl)propan-2-amine
CID 116995177

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dimethoxyisoquinolin-1-yl)-N-methylmethanamine?
The IUPAC name of 1-(6,7-dimethoxyisoquinolin-1-yl)-N-methylmethanamine (CID 116995176) is 1-(6,7-dimethoxyisoquinolin-1-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(6,7-dimethoxyisoquinolin-1-yl)-N-methylmethanamine?
The canonical SMILES for 1-(6,7-dimethoxyisoquinolin-1-yl)-N-methylmethanamine is CNCc1nccc2cc(OC)c(OC)cc12.
What is the InChIKey of 1-(6,7-dimethoxyisoquinolin-1-yl)-N-methylmethanamine?
The InChIKey is SDEYVEHMZKMSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-14-8-11-10-7-13(17-3)12(16-2)6-9(10)4-5-15-11/h4-7,14H,8H2,1-3H3.
What are the key properties of 1-(6,7-dimethoxyisoquinolin-1-yl)-N-methylmethanamine?
1-(6,7-dimethoxyisoquinolin-1-yl)-N-methylmethanamine has a molecular weight of 232.28 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dimethoxyisoquinolin-1-yl)-N-methylmethanamine is sourced from PubChem (CID 116995176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).