2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)ethanamine;hydrochloride

C13H19ClN2O2 — CID 54611410

IUPAC2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)ethanamine;hydrochloride
SMILESCOc1cc2c(cc1OC)C(CCN)=NCC2.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-16-12-7-9-4-6-15-11(3-5-14)10(9)8-13(12)17-2;/h7-8H,3-6,14H2,1-2H3;1H
InChIKeyVMJDJWQVQFBXDP-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.82
Rot. Bonds4

About 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)ethanamine;hydrochloride

2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)ethanamine;hydrochloride (PubChem CID 54611410) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)ethanamine;hydrochloride
PubChem CID54611410
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)ethanamine;hydrochloride
SMILESCOc1cc2c(cc1OC)C(CCN)=NCC2.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-16-12-7-9-4-6-15-11(3-5-14)10(9)8-13(12)17-2;/h7-8H,3-6,14H2,1-2H3;1H
InChIKeyVMJDJWQVQFBXDP-UHFFFAOYSA-N
XLogP1.82
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)ethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)ethanamine;hydrochloride (CID 54611410) is 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)ethanamine;hydrochloride is COc1cc2c(cc1OC)C(CCN)=NCC2.Cl.
What is the InChIKey of 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)ethanamine;hydrochloride?
The InChIKey is VMJDJWQVQFBXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2.ClH/c1-16-12-7-9-4-6-15-11(3-5-14)10(9)8-13(12)17-2;/h7-8H,3-6,14H2,1-2H3;1H.
What are the key properties of 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)ethanamine;hydrochloride?
2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)ethanamine;hydrochloride has a molecular weight of 270.76 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)ethanamine;hydrochloride is sourced from PubChem (CID 54611410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).