2-amino-1-(4-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

C12H16N2O2 — CID 15884745

IUPAC2-amino-1-(4-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
SMILESCOC1CN(C(=O)CN)Cc2ccccc21
InChIInChI=1S/C12H16N2O2/c1-16-11-8-14(12(15)6-13)7-9-4-2-3-5-10(9)11/h2-5,11H,6-8,13H2,1H3
InChIKeyXLVYSZOSXPEIIC-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.68
Rot. Bonds2

About 2-amino-1-(4-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

2-amino-1-(4-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone (PubChem CID 15884745) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-amino-1-(4-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
PubChem CID15884745
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-amino-1-(4-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
SMILESCOC1CN(C(=O)CN)Cc2ccccc21
InChIInChI=1S/C12H16N2O2/c1-16-11-8-14(12(15)6-13)7-9-4-2-3-5-10(9)11/h2-5,11H,6-8,13H2,1H3
InChIKeyXLVYSZOSXPEIIC-UHFFFAOYSA-N
XLogP0.68
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-(4-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone 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-amino-1-(4-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The IUPAC name of 2-amino-1-(4-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone (CID 15884745) is 2-amino-1-(4-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone.
What is the SMILES notation for 2-amino-1-(4-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The canonical SMILES for 2-amino-1-(4-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone is COC1CN(C(=O)CN)Cc2ccccc21.
What is the InChIKey of 2-amino-1-(4-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The InChIKey is XLVYSZOSXPEIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-16-11-8-14(12(15)6-13)7-9-4-2-3-5-10(9)11/h2-5,11H,6-8,13H2,1H3.
What are the key properties of 2-amino-1-(4-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
2-amino-1-(4-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone has a molecular weight of 220.27 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone is sourced from PubChem (CID 15884745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).