2-(2-amino-5-fluorophenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol

C15H21FN2O — CID 81096740

IUPAC2-(2-amino-5-fluorophenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
SMILESNc1ccc(F)cc1N1CCC2(O)CCCCC2C1
InChIInChI=1S/C15H21FN2O/c16-12-4-5-13(17)14(9-12)18-8-7-15(19)6-2-1-3-11(15)10-18/h4-5,9,11,19H,1-3,6-8,10,17H2
InChIKeyWIDUYSFKQRSLTQ-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.54
Rot. Bonds1

About 2-(2-amino-5-fluorophenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol

2-(2-amino-5-fluorophenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol (PubChem CID 81096740) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-(2-amino-5-fluorophenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol.

Molecular Properties

Compound Name2-(2-amino-5-fluorophenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
PubChem CID81096740
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name2-(2-amino-5-fluorophenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
SMILESNc1ccc(F)cc1N1CCC2(O)CCCCC2C1
InChIInChI=1S/C15H21FN2O/c16-12-4-5-13(17)14(9-12)18-8-7-15(19)6-2-1-3-11(15)10-18/h4-5,9,11,19H,1-3,6-8,10,17H2
InChIKeyWIDUYSFKQRSLTQ-UHFFFAOYSA-N
XLogP2.54
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-amino-5-fluorophenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The IUPAC name of 2-(2-amino-5-fluorophenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol (CID 81096740) is 2-(2-amino-5-fluorophenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol.
What is the SMILES notation for 2-(2-amino-5-fluorophenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The canonical SMILES for 2-(2-amino-5-fluorophenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol is Nc1ccc(F)cc1N1CCC2(O)CCCCC2C1.
What is the InChIKey of 2-(2-amino-5-fluorophenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The InChIKey is WIDUYSFKQRSLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c16-12-4-5-13(17)14(9-12)18-8-7-15(19)6-2-1-3-11(15)10-18/h4-5,9,11,19H,1-3,6-8,10,17H2.
What are the key properties of 2-(2-amino-5-fluorophenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
2-(2-amino-5-fluorophenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol has a molecular weight of 264.34 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-fluorophenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol is sourced from PubChem (CID 81096740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).