2-(5-bromo-2-fluorophenoxy)quinolin-6-amine

C15H10BrFN2O — CID 114671712

IUPAC2-(5-bromo-2-fluorophenoxy)quinolin-6-amine
SMILESNc1ccc2nc(Oc3cc(Br)ccc3F)ccc2c1
InChIInChI=1S/C15H10BrFN2O/c16-10-2-4-12(17)14(8-10)20-15-6-1-9-7-11(18)3-5-13(9)19-15/h1-8H,18H2
InChIKeyVFHUAOGRNBLOIT-UHFFFAOYSA-N
MW333.16 g/mol
LogP4.51
Rot. Bonds2

About 2-(5-bromo-2-fluorophenoxy)quinolin-6-amine

2-(5-bromo-2-fluorophenoxy)quinolin-6-amine (PubChem CID 114671712) has the molecular formula C15H10BrFN2O and a molecular weight of 333.16 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenoxy)quinolin-6-amine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenoxy)quinolin-6-amine
PubChem CID114671712
Molecular FormulaC15H10BrFN2O
Molecular Weight333.16 g/mol
Exact Mass332.00
IUPAC Name2-(5-bromo-2-fluorophenoxy)quinolin-6-amine
SMILESNc1ccc2nc(Oc3cc(Br)ccc3F)ccc2c1
InChIInChI=1S/C15H10BrFN2O/c16-10-2-4-12(17)14(8-10)20-15-6-1-9-7-11(18)3-5-13(9)19-15/h1-8H,18H2
InChIKeyVFHUAOGRNBLOIT-UHFFFAOYSA-N
XLogP4.51
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromophenoxy)quinolin-6-amine
CID 43451089
4-(5-bromo-2-fluorophenoxy)-3-fluoroaniline
CID 114671642
2-(3-chloro-4-fluorophenoxy)quinolin-6-amine
CID 63879320
[6-(5-bromo-2-fluorophenoxy)-2-pyridinyl]hydrazine
CID 114677416
2-(5-bromo-2-fluorophenoxy)-6-fluoropyridine
CID 114672244
4-bromo-3-quinolin-2-yloxyaniline
CID 103011624
2-(2-ethoxyphenoxy)quinolin-6-amine
CID 43451044
6-(5-bromo-2-fluorophenoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102720122
5-amino-2-(5-bromo-2-fluorophenoxy)benzonitrile
CID 114671689
6-(5-bromo-2-fluorophenoxy)isoquinolin-5-amine
CID 106948740
5-amino-2-(5-bromo-2-fluorophenoxy)benzenesulfonamide
CID 114671687
2-(5-bromo-2-fluorophenoxy)quinoline-3-carbaldehyde
CID 114673914

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenoxy)quinolin-6-amine?
The IUPAC name of 2-(5-bromo-2-fluorophenoxy)quinolin-6-amine (CID 114671712) is 2-(5-bromo-2-fluorophenoxy)quinolin-6-amine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenoxy)quinolin-6-amine?
The canonical SMILES for 2-(5-bromo-2-fluorophenoxy)quinolin-6-amine is Nc1ccc2nc(Oc3cc(Br)ccc3F)ccc2c1.
What is the InChIKey of 2-(5-bromo-2-fluorophenoxy)quinolin-6-amine?
The InChIKey is VFHUAOGRNBLOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O/c16-10-2-4-12(17)14(8-10)20-15-6-1-9-7-11(18)3-5-13(9)19-15/h1-8H,18H2.
What are the key properties of 2-(5-bromo-2-fluorophenoxy)quinolin-6-amine?
2-(5-bromo-2-fluorophenoxy)quinolin-6-amine has a molecular weight of 333.16 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenoxy)quinolin-6-amine is sourced from PubChem (CID 114671712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).