2-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine

C18H20N2 — CID 61017555

IUPAC2-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine
SMILESNc1cccc2c1CCN(C1Cc3ccccc3C1)C2
InChIInChI=1S/C18H20N2/c19-18-7-3-6-15-12-20(9-8-17(15)18)16-10-13-4-1-2-5-14(13)11-16/h1-7,16H,8-12,19H2
InChIKeyFOGNPUOJGVMBPH-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.79
Rot. Bonds1

About 2-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine

2-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine (PubChem CID 61017555) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine
PubChem CID61017555
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name2-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine
SMILESNc1cccc2c1CCN(C1Cc3ccccc3C1)C2
InChIInChI=1S/C18H20N2/c19-18-7-3-6-15-12-20(9-8-17(15)18)16-10-13-4-1-2-5-14(13)11-16/h1-7,16H,8-12,19H2
InChIKeyFOGNPUOJGVMBPH-UHFFFAOYSA-N
XLogP2.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine?
The IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine (CID 61017555) is 2-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine is Nc1cccc2c1CCN(C1Cc3ccccc3C1)C2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine?
The InChIKey is FOGNPUOJGVMBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c19-18-7-3-6-15-12-20(9-8-17(15)18)16-10-13-4-1-2-5-14(13)11-16/h1-7,16H,8-12,19H2.
What are the key properties of 2-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine?
2-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine has a molecular weight of 264.37 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine is sourced from PubChem (CID 61017555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).