2-(6,7-dimethoxyisoquinolin-1-yl)propan-2-amine

C14H18N2O2 — CID 116995177

IUPAC2-(6,7-dimethoxyisoquinolin-1-yl)propan-2-amine
SMILESCOc1cc2ccnc(C(C)(C)N)c2cc1OC
InChIInChI=1S/C14H18N2O2/c1-14(2,15)13-10-8-12(18-4)11(17-3)7-9(10)5-6-16-13/h5-8H,15H2,1-4H3
InChIKeyUDCVQNOXCFOOTR-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.45
Rot. Bonds3

About 2-(6,7-dimethoxyisoquinolin-1-yl)propan-2-amine

2-(6,7-dimethoxyisoquinolin-1-yl)propan-2-amine (PubChem CID 116995177) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(6,7-dimethoxyisoquinolin-1-yl)propan-2-amine.

Molecular Properties

Compound Name2-(6,7-dimethoxyisoquinolin-1-yl)propan-2-amine
PubChem CID116995177
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-(6,7-dimethoxyisoquinolin-1-yl)propan-2-amine
SMILESCOc1cc2ccnc(C(C)(C)N)c2cc1OC
InChIInChI=1S/C14H18N2O2/c1-14(2,15)13-10-8-12(18-4)11(17-3)7-9(10)5-6-16-13/h5-8H,15H2,1-4H3
InChIKeyUDCVQNOXCFOOTR-UHFFFAOYSA-N
XLogP2.45
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,4-dimethoxyphenyl)-difluoromethyl]-6,7-dimethoxyisoquinoline
CID 153397725
6,7-dimethoxy-1-methylisoquinoline
CID 20725
(6,7-dimethoxyisoquinolin-1-yl)hydrazine
CID 103840464
3-[(6,7-dimethoxyisoquinolin-1-yl)amino]-3-methylbutan-2-ol
CID 106539852
N-(2,2-dimethylpropyl)-6,7-dimethoxyisoquinolin-1-amine
CID 106537879
N'-(6,7-dimethoxyisoquinolin-1-yl)-2,2-difluoropropane-1,3-diamine
CID 106541100
1-N-(6,7-dimethoxyisoquinolin-1-yl)propane-1,2-diamine
CID 106540624
7-fluoro-6-methoxyisoquinolin-1-amine
CID 82276421
6,7-dimethoxy-1-(4-methylphenyl)isoquinoline
CID 46915406
6,7-dimethoxy-1-(4-methoxyphenyl)isoquinoline
CID 50923051
3-(6,7-dimethoxyisoquinolin-1-yl)cyclobutan-1-amine
CID 116995190
2-(6,7-dimethoxyisoquinolin-1-yl)ethanol
CID 116995192

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethoxyisoquinolin-1-yl)propan-2-amine?
The IUPAC name of 2-(6,7-dimethoxyisoquinolin-1-yl)propan-2-amine (CID 116995177) is 2-(6,7-dimethoxyisoquinolin-1-yl)propan-2-amine.
What is the SMILES notation for 2-(6,7-dimethoxyisoquinolin-1-yl)propan-2-amine?
The canonical SMILES for 2-(6,7-dimethoxyisoquinolin-1-yl)propan-2-amine is COc1cc2ccnc(C(C)(C)N)c2cc1OC.
What is the InChIKey of 2-(6,7-dimethoxyisoquinolin-1-yl)propan-2-amine?
The InChIKey is UDCVQNOXCFOOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-14(2,15)13-10-8-12(18-4)11(17-3)7-9(10)5-6-16-13/h5-8H,15H2,1-4H3.
What are the key properties of 2-(6,7-dimethoxyisoquinolin-1-yl)propan-2-amine?
2-(6,7-dimethoxyisoquinolin-1-yl)propan-2-amine has a molecular weight of 246.31 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxyisoquinolin-1-yl)propan-2-amine is sourced from PubChem (CID 116995177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).