N-(2-bromo-6-fluorophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

C14H18BrFN2 — CID 107598260

IUPACN-(2-bromo-6-fluorophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESFc1cccc(Br)c1NC1CCN2CCCCC12
InChIInChI=1S/C14H18BrFN2/c15-10-4-3-5-11(16)14(10)17-12-7-9-18-8-2-1-6-13(12)18/h3-5,12-13,17H,1-2,6-9H2
InChIKeyJTTBGNMRKBFTJJ-UHFFFAOYSA-N
MW313.21 g/mol
LogP3.63
Rot. Bonds2

About N-(2-bromo-6-fluorophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

N-(2-bromo-6-fluorophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (PubChem CID 107598260) has the molecular formula C14H18BrFN2 and a molecular weight of 313.21 g/mol. Its IUPAC name is N-(2-bromo-6-fluorophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.

Molecular Properties

Compound NameN-(2-bromo-6-fluorophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
PubChem CID107598260
Molecular FormulaC14H18BrFN2
Molecular Weight313.21 g/mol
Exact Mass312.06
IUPAC NameN-(2-bromo-6-fluorophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESFc1cccc(Br)c1NC1CCN2CCCCC12
InChIInChI=1S/C14H18BrFN2/c15-10-4-3-5-11(16)14(10)17-12-7-9-18-8-2-1-6-13(12)18/h3-5,12-13,17H,1-2,6-9H2
InChIKeyJTTBGNMRKBFTJJ-UHFFFAOYSA-N
XLogP3.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-fluorophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The IUPAC name of N-(2-bromo-6-fluorophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (CID 107598260) is N-(2-bromo-6-fluorophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.
What is the SMILES notation for N-(2-bromo-6-fluorophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The canonical SMILES for N-(2-bromo-6-fluorophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is Fc1cccc(Br)c1NC1CCN2CCCCC12.
What is the InChIKey of N-(2-bromo-6-fluorophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The InChIKey is JTTBGNMRKBFTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2/c15-10-4-3-5-11(16)14(10)17-12-7-9-18-8-2-1-6-13(12)18/h3-5,12-13,17H,1-2,6-9H2.
What are the key properties of N-(2-bromo-6-fluorophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
N-(2-bromo-6-fluorophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine has a molecular weight of 313.21 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-fluorophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is sourced from PubChem (CID 107598260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).