[2-(2-bromo-4-fluorophenoxy)quinolin-3-yl]methanamine

C16H12BrFN2O — CID 28965989

IUPAC[2-(2-bromo-4-fluorophenoxy)quinolin-3-yl]methanamine
SMILESNCc1cc2ccccc2nc1Oc1ccc(F)cc1Br
InChIInChI=1S/C16H12BrFN2O/c17-13-8-12(18)5-6-15(13)21-16-11(9-19)7-10-3-1-2-4-14(10)20-16/h1-8H,9,19H2
InChIKeyJLZPDWMCIGPPCN-UHFFFAOYSA-N
MW347.19 g/mol
LogP4.39
Rot. Bonds3

About [2-(2-bromo-4-fluorophenoxy)quinolin-3-yl]methanamine

[2-(2-bromo-4-fluorophenoxy)quinolin-3-yl]methanamine (PubChem CID 28965989) has the molecular formula C16H12BrFN2O and a molecular weight of 347.19 g/mol. Its IUPAC name is [2-(2-bromo-4-fluorophenoxy)quinolin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(2-bromo-4-fluorophenoxy)quinolin-3-yl]methanamine
PubChem CID28965989
Molecular FormulaC16H12BrFN2O
Molecular Weight347.19 g/mol
Exact Mass346.01
IUPAC Name[2-(2-bromo-4-fluorophenoxy)quinolin-3-yl]methanamine
SMILESNCc1cc2ccccc2nc1Oc1ccc(F)cc1Br
InChIInChI=1S/C16H12BrFN2O/c17-13-8-12(18)5-6-15(13)21-16-11(9-19)7-10-3-1-2-4-14(10)20-16/h1-8H,9,19H2
InChIKeyJLZPDWMCIGPPCN-UHFFFAOYSA-N
XLogP4.39
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.19
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,4-dibromophenoxy)quinolin-3-yl]methanamine
CID 64718621
[2-(2,4-difluorophenoxy)quinolin-3-yl]methanamine
CID 28965955
[2-(4-fluorophenoxy)quinolin-3-yl]methanamine
CID 28966185
[2-(2-fluoro-5-methylphenoxy)quinolin-3-yl]methanamine
CID 64854395
[2-(2-bromo-4-fluorophenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 43478652
[3-(2-bromo-4-fluorophenoxy)pyridazin-4-yl]methanamine
CID 80507794
[2-(4-methylsulfanylphenoxy)quinolin-3-yl]methanamine
CID 63648716
[2-[(6-methyl-3-pyridinyl)oxy]quinolin-3-yl]methanamine
CID 62073251
[2-(3-iodophenoxy)quinolin-3-yl]methanamine
CID 43327394
4-(2-bromo-4-fluorophenoxy)-2-(chloromethyl)quinoline
CID 63445972
[2-[3-(hydroxymethyl)quinolin-2-yl]oxyphenyl]methanol
CID 63653966
3-(bromomethyl)-2-(2-chlorophenoxy)quinoline
CID 107086929

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-4-fluorophenoxy)quinolin-3-yl]methanamine?
The IUPAC name of [2-(2-bromo-4-fluorophenoxy)quinolin-3-yl]methanamine (CID 28965989) is [2-(2-bromo-4-fluorophenoxy)quinolin-3-yl]methanamine.
What is the SMILES notation for [2-(2-bromo-4-fluorophenoxy)quinolin-3-yl]methanamine?
The canonical SMILES for [2-(2-bromo-4-fluorophenoxy)quinolin-3-yl]methanamine is NCc1cc2ccccc2nc1Oc1ccc(F)cc1Br.
What is the InChIKey of [2-(2-bromo-4-fluorophenoxy)quinolin-3-yl]methanamine?
The InChIKey is JLZPDWMCIGPPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O/c17-13-8-12(18)5-6-15(13)21-16-11(9-19)7-10-3-1-2-4-14(10)20-16/h1-8H,9,19H2.
What are the key properties of [2-(2-bromo-4-fluorophenoxy)quinolin-3-yl]methanamine?
[2-(2-bromo-4-fluorophenoxy)quinolin-3-yl]methanamine has a molecular weight of 347.19 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-4-fluorophenoxy)quinolin-3-yl]methanamine is sourced from PubChem (CID 28965989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).