[2-(2,4-dibromophenoxy)quinolin-3-yl]methanamine

C16H12Br2N2O — CID 64718621

IUPAC[2-(2,4-dibromophenoxy)quinolin-3-yl]methanamine
SMILESNCc1cc2ccccc2nc1Oc1ccc(Br)cc1Br
InChIInChI=1S/C16H12Br2N2O/c17-12-5-6-15(13(18)8-12)21-16-11(9-19)7-10-3-1-2-4-14(10)20-16/h1-8H,9,19H2
InChIKeyFNFIVALBNOJDOE-UHFFFAOYSA-N
MW408.09 g/mol
LogP5.01
Rot. Bonds3

About [2-(2,4-dibromophenoxy)quinolin-3-yl]methanamine

[2-(2,4-dibromophenoxy)quinolin-3-yl]methanamine (PubChem CID 64718621) has the molecular formula C16H12Br2N2O and a molecular weight of 408.09 g/mol. Its IUPAC name is [2-(2,4-dibromophenoxy)quinolin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(2,4-dibromophenoxy)quinolin-3-yl]methanamine
PubChem CID64718621
Molecular FormulaC16H12Br2N2O
Molecular Weight408.09 g/mol
Exact Mass405.93
IUPAC Name[2-(2,4-dibromophenoxy)quinolin-3-yl]methanamine
SMILESNCc1cc2ccccc2nc1Oc1ccc(Br)cc1Br
InChIInChI=1S/C16H12Br2N2O/c17-12-5-6-15(13(18)8-12)21-16-11(9-19)7-10-3-1-2-4-14(10)20-16/h1-8H,9,19H2
InChIKeyFNFIVALBNOJDOE-UHFFFAOYSA-N
XLogP5.01
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.09
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-bromo-4-fluorophenoxy)quinolin-3-yl]methanamine
CID 28965989
[2-(2,4-difluorophenoxy)quinolin-3-yl]methanamine
CID 28965955
[5-bromo-2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine
CID 64721342
[2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine
CID 64719510
[2-(2-fluoro-5-methylphenoxy)quinolin-3-yl]methanamine
CID 64854395
2-(5-bromo-2-chlorophenoxy)-3-(bromomethyl)quinoline
CID 107088617
[2-(4-fluorophenoxy)quinolin-3-yl]methanamine
CID 28966185
[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
[6-(2,4-dibromophenoxy)-2-pyridinyl]methanamine
CID 64719282
(4-bromo-2-quinolin-3-yloxyphenyl)methanamine
CID 107386867

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dibromophenoxy)quinolin-3-yl]methanamine?
The IUPAC name of [2-(2,4-dibromophenoxy)quinolin-3-yl]methanamine (CID 64718621) is [2-(2,4-dibromophenoxy)quinolin-3-yl]methanamine.
What is the SMILES notation for [2-(2,4-dibromophenoxy)quinolin-3-yl]methanamine?
The canonical SMILES for [2-(2,4-dibromophenoxy)quinolin-3-yl]methanamine is NCc1cc2ccccc2nc1Oc1ccc(Br)cc1Br.
What is the InChIKey of [2-(2,4-dibromophenoxy)quinolin-3-yl]methanamine?
The InChIKey is FNFIVALBNOJDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2N2O/c17-12-5-6-15(13(18)8-12)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-(2,4-dibromophenoxy)quinolin-3-yl]methanamine?
[2-(2,4-dibromophenoxy)quinolin-3-yl]methanamine has a molecular weight of 408.09 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dibromophenoxy)quinolin-3-yl]methanamine is sourced from PubChem (CID 64718621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).