4a-phenyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinoline

C15H21N — CID 71741959

IUPAC4a-phenyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinoline
SMILESc1ccc(C23CCCCC2NCCC3)cc1
InChIInChI=1S/C15H21N/c1-2-7-13(8-3-1)15-10-5-4-9-14(15)16-12-6-11-15/h1-3,7-8,14,16H,4-6,9-12H2
InChIKeyXFAJXXOISKYTAX-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.25
Rot. Bonds1

About 4a-phenyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinoline

4a-phenyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinoline (PubChem CID 71741959) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 4a-phenyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinoline.

Molecular Properties

Compound Name4a-phenyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinoline
PubChem CID71741959
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name4a-phenyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinoline
SMILESc1ccc(C23CCCCC2NCCC3)cc1
InChIInChI=1S/C15H21N/c1-2-7-13(8-3-1)15-10-5-4-9-14(15)16-12-6-11-15/h1-3,7-8,14,16H,4-6,9-12H2
InChIKeyXFAJXXOISKYTAX-UHFFFAOYSA-N
XLogP3.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4a-phenyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinoline?
The IUPAC name of 4a-phenyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinoline (CID 71741959) is 4a-phenyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinoline.
What is the SMILES notation for 4a-phenyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinoline?
The canonical SMILES for 4a-phenyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinoline is c1ccc(C23CCCCC2NCCC3)cc1.
What is the InChIKey of 4a-phenyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinoline?
The InChIKey is XFAJXXOISKYTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-2-7-13(8-3-1)15-10-5-4-9-14(15)16-12-6-11-15/h1-3,7-8,14,16H,4-6,9-12H2.
What are the key properties of 4a-phenyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinoline?
4a-phenyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinoline has a molecular weight of 215.34 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4a-phenyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinoline is sourced from PubChem (CID 71741959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).