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

C19H18N2 — CID 65405520

IUPAC2,3-dihydro-1H-inden-1-yl(isoquinolin-5-yl)methanamine
SMILESNC(c1cccc2cnccc12)C1CCc2ccccc21
InChIInChI=1S/C19H18N2/c20-19(18-9-8-13-4-1-2-6-15(13)18)17-7-3-5-14-12-21-11-10-16(14)17/h1-7,10-12,18-19H,8-9,20H2
InChIKeyZNXXGLVEPOCZJY-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.96
Rot. Bonds2

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

2,3-dihydro-1H-inden-1-yl(isoquinolin-5-yl)methanamine (PubChem CID 65405520) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-1-yl(isoquinolin-5-yl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-1-yl(isoquinolin-5-yl)methanamine
PubChem CID65405520
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name2,3-dihydro-1H-inden-1-yl(isoquinolin-5-yl)methanamine
SMILESNC(c1cccc2cnccc12)C1CCc2ccccc21
InChIInChI=1S/C19H18N2/c20-19(18-9-8-13-4-1-2-6-15(13)18)17-7-3-5-14-12-21-11-10-16(14)17/h1-7,10-12,18-19H,8-9,20H2
InChIKeyZNXXGLVEPOCZJY-UHFFFAOYSA-N
XLogP3.96
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-1-yl(isoquinolin-5-yl)methanamine?
The IUPAC name of 2,3-dihydro-1H-inden-1-yl(isoquinolin-5-yl)methanamine (CID 65405520) is 2,3-dihydro-1H-inden-1-yl(isoquinolin-5-yl)methanamine.
What is the SMILES notation for 2,3-dihydro-1H-inden-1-yl(isoquinolin-5-yl)methanamine?
The canonical SMILES for 2,3-dihydro-1H-inden-1-yl(isoquinolin-5-yl)methanamine is NC(c1cccc2cnccc12)C1CCc2ccccc21.
What is the InChIKey of 2,3-dihydro-1H-inden-1-yl(isoquinolin-5-yl)methanamine?
The InChIKey is ZNXXGLVEPOCZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c20-19(18-9-8-13-4-1-2-6-15(13)18)17-7-3-5-14-12-21-11-10-16(14)17/h1-7,10-12,18-19H,8-9,20H2.
What are the key properties of 2,3-dihydro-1H-inden-1-yl(isoquinolin-5-yl)methanamine?
2,3-dihydro-1H-inden-1-yl(isoquinolin-5-yl)methanamine has a molecular weight of 274.37 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-1-yl(isoquinolin-5-yl)methanamine is sourced from PubChem (CID 65405520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).