3-(furan-2-yl)-3,4-dihydroisoquinolin-1-amine

C13H12N2O — CID 11075828

IUPAC3-(furan-2-yl)-3,4-dihydroisoquinolin-1-amine
SMILESNC1=NC(c2ccco2)Cc2ccccc21
InChIInChI=1S/C13H12N2O/c14-13-10-5-2-1-4-9(10)8-11(15-13)12-6-3-7-16-12/h1-7,11H,8H2,(H2,14,15)
InChIKeyMHTRUYAUQNWPBC-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.28
Rot. Bonds1

About 3-(furan-2-yl)-3,4-dihydroisoquinolin-1-amine

3-(furan-2-yl)-3,4-dihydroisoquinolin-1-amine (PubChem CID 11075828) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-(furan-2-yl)-3,4-dihydroisoquinolin-1-amine.

Molecular Properties

Compound Name3-(furan-2-yl)-3,4-dihydroisoquinolin-1-amine
PubChem CID11075828
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name3-(furan-2-yl)-3,4-dihydroisoquinolin-1-amine
SMILESNC1=NC(c2ccco2)Cc2ccccc21
InChIInChI=1S/C13H12N2O/c14-13-10-5-2-1-4-9(10)8-11(15-13)12-6-3-7-16-12/h1-7,11H,8H2,(H2,14,15)
InChIKeyMHTRUYAUQNWPBC-UHFFFAOYSA-N
XLogP2.28
TPSA51.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(furan-2-yl)-3,4-dihydroisoquinolin-1-amine 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 3-(furan-2-yl)-3,4-dihydroisoquinolin-1-amine?
The IUPAC name of 3-(furan-2-yl)-3,4-dihydroisoquinolin-1-amine (CID 11075828) is 3-(furan-2-yl)-3,4-dihydroisoquinolin-1-amine.
What is the SMILES notation for 3-(furan-2-yl)-3,4-dihydroisoquinolin-1-amine?
The canonical SMILES for 3-(furan-2-yl)-3,4-dihydroisoquinolin-1-amine is NC1=NC(c2ccco2)Cc2ccccc21.
What is the InChIKey of 3-(furan-2-yl)-3,4-dihydroisoquinolin-1-amine?
The InChIKey is MHTRUYAUQNWPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c14-13-10-5-2-1-4-9(10)8-11(15-13)12-6-3-7-16-12/h1-7,11H,8H2,(H2,14,15).
What are the key properties of 3-(furan-2-yl)-3,4-dihydroisoquinolin-1-amine?
3-(furan-2-yl)-3,4-dihydroisoquinolin-1-amine has a molecular weight of 212.25 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-3,4-dihydroisoquinolin-1-amine is sourced from PubChem (CID 11075828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).