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

C19H18N2 — CID 115798167

IUPAC2,3-dihydro-1H-inden-5-yl(quinolin-3-yl)methanamine
SMILESNC(c1ccc2c(c1)CCC2)c1cnc2ccccc2c1
InChIInChI=1S/C19H18N2/c20-19(16-9-8-13-5-3-6-14(13)10-16)17-11-15-4-1-2-7-18(15)21-12-17/h1-2,4,7-12,19H,3,5-6,20H2
InChIKeyMIZDSYAOPOJBSX-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.77
Rot. Bonds2

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

2,3-dihydro-1H-inden-5-yl(quinolin-3-yl)methanamine (PubChem CID 115798167) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl(quinolin-3-yl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-yl(quinolin-3-yl)methanamine
PubChem CID115798167
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name2,3-dihydro-1H-inden-5-yl(quinolin-3-yl)methanamine
SMILESNC(c1ccc2c(c1)CCC2)c1cnc2ccccc2c1
InChIInChI=1S/C19H18N2/c20-19(16-9-8-13-5-3-6-14(13)10-16)17-11-15-4-1-2-7-18(15)21-12-17/h1-2,4,7-12,19H,3,5-6,20H2
InChIKeyMIZDSYAOPOJBSX-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
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-5-yl(quinolin-3-yl)methanamine?
The IUPAC name of 2,3-dihydro-1H-inden-5-yl(quinolin-3-yl)methanamine (CID 115798167) is 2,3-dihydro-1H-inden-5-yl(quinolin-3-yl)methanamine.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-yl(quinolin-3-yl)methanamine?
The canonical SMILES for 2,3-dihydro-1H-inden-5-yl(quinolin-3-yl)methanamine is NC(c1ccc2c(c1)CCC2)c1cnc2ccccc2c1.
What is the InChIKey of 2,3-dihydro-1H-inden-5-yl(quinolin-3-yl)methanamine?
The InChIKey is MIZDSYAOPOJBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c20-19(16-9-8-13-5-3-6-14(13)10-16)17-11-15-4-1-2-7-18(15)21-12-17/h1-2,4,7-12,19H,3,5-6,20H2.
What are the key properties of 2,3-dihydro-1H-inden-5-yl(quinolin-3-yl)methanamine?
2,3-dihydro-1H-inden-5-yl(quinolin-3-yl)methanamine has a molecular weight of 274.37 g/mol, XLogP of 3.77, 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-5-yl(quinolin-3-yl)methanamine is sourced from PubChem (CID 115798167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).