6,7-dimethoxy-3,4-dihydroisoquinolin-1-amine

C11H14N2O2 — CID 13108047

IUPAC6,7-dimethoxy-3,4-dihydroisoquinolin-1-amine
SMILESCOc1cc2c(cc1OC)C(N)=NCC2
InChIInChI=1S/C11H14N2O2/c1-14-9-5-7-3-4-13-11(12)8(7)6-10(9)15-2/h5-6H,3-4H2,1-2H3,(H2,12,13)
InChIKeyJVPUZUTVEGLNSW-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.97
Rot. Bonds2

About 6,7-dimethoxy-3,4-dihydroisoquinolin-1-amine

6,7-dimethoxy-3,4-dihydroisoquinolin-1-amine (PubChem CID 13108047) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 6,7-dimethoxy-3,4-dihydroisoquinolin-1-amine.

Molecular Properties

Compound Name6,7-dimethoxy-3,4-dihydroisoquinolin-1-amine
PubChem CID13108047
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name6,7-dimethoxy-3,4-dihydroisoquinolin-1-amine
SMILESCOc1cc2c(cc1OC)C(N)=NCC2
InChIInChI=1S/C11H14N2O2/c1-14-9-5-7-3-4-13-11(12)8(7)6-10(9)15-2/h5-6H,3-4H2,1-2H3,(H2,12,13)
InChIKeyJVPUZUTVEGLNSW-UHFFFAOYSA-N
XLogP0.97
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3,4-dihydroisoquinolin-1-amine?
The IUPAC name of 6,7-dimethoxy-3,4-dihydroisoquinolin-1-amine (CID 13108047) is 6,7-dimethoxy-3,4-dihydroisoquinolin-1-amine.
What is the SMILES notation for 6,7-dimethoxy-3,4-dihydroisoquinolin-1-amine?
The canonical SMILES for 6,7-dimethoxy-3,4-dihydroisoquinolin-1-amine is COc1cc2c(cc1OC)C(N)=NCC2.
What is the InChIKey of 6,7-dimethoxy-3,4-dihydroisoquinolin-1-amine?
The InChIKey is JVPUZUTVEGLNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-14-9-5-7-3-4-13-11(12)8(7)6-10(9)15-2/h5-6H,3-4H2,1-2H3,(H2,12,13).
What are the key properties of 6,7-dimethoxy-3,4-dihydroisoquinolin-1-amine?
6,7-dimethoxy-3,4-dihydroisoquinolin-1-amine has a molecular weight of 206.24 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3,4-dihydroisoquinolin-1-amine is sourced from PubChem (CID 13108047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).