N-(2-bromo-4-fluorophenyl)cyclooctanamine

C14H19BrFN — CID 28939094

IUPACN-(2-bromo-4-fluorophenyl)cyclooctanamine
SMILESFc1ccc(NC2CCCCCCC2)c(Br)c1
InChIInChI=1S/C14H19BrFN/c15-13-10-11(16)8-9-14(13)17-12-6-4-2-1-3-5-7-12/h8-10,12,17H,1-7H2
InChIKeyPIIDGGMIVGMWTR-UHFFFAOYSA-N
MW300.21 g/mol
LogP5.11
Rot. Bonds2

About N-(2-bromo-4-fluorophenyl)cyclooctanamine

N-(2-bromo-4-fluorophenyl)cyclooctanamine (PubChem CID 28939094) has the molecular formula C14H19BrFN and a molecular weight of 300.21 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)cyclooctanamine.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)cyclooctanamine
PubChem CID28939094
Molecular FormulaC14H19BrFN
Molecular Weight300.21 g/mol
Exact Mass299.07
IUPAC NameN-(2-bromo-4-fluorophenyl)cyclooctanamine
SMILESFc1ccc(NC2CCCCCCC2)c(Br)c1
InChIInChI=1S/C14H19BrFN/c15-13-10-11(16)8-9-14(13)17-12-6-4-2-1-3-5-7-12/h8-10,12,17H,1-7H2
InChIKeyPIIDGGMIVGMWTR-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.21
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)cyclooctanamine?
The IUPAC name of N-(2-bromo-4-fluorophenyl)cyclooctanamine (CID 28939094) is N-(2-bromo-4-fluorophenyl)cyclooctanamine.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)cyclooctanamine?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)cyclooctanamine is Fc1ccc(NC2CCCCCCC2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)cyclooctanamine?
The InChIKey is PIIDGGMIVGMWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN/c15-13-10-11(16)8-9-14(13)17-12-6-4-2-1-3-5-7-12/h8-10,12,17H,1-7H2.
What are the key properties of N-(2-bromo-4-fluorophenyl)cyclooctanamine?
N-(2-bromo-4-fluorophenyl)cyclooctanamine has a molecular weight of 300.21 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)cyclooctanamine is sourced from PubChem (CID 28939094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).