[8-(4-bromophenoxy)quinolin-5-yl]methanamine

C16H13BrN2O — CID 135373454

IUPAC[8-(4-bromophenoxy)quinolin-5-yl]methanamine
SMILESNCc1ccc(Oc2ccc(Br)cc2)c2ncccc12
InChIInChI=1S/C16H13BrN2O/c17-12-4-6-13(7-5-12)20-15-8-3-11(10-18)14-2-1-9-19-16(14)15/h1-9H,10,18H2
InChIKeyURNGQESSMDBKOZ-UHFFFAOYSA-N
MW329.20 g/mol
LogP4.25
Rot. Bonds3

About [8-(4-bromophenoxy)quinolin-5-yl]methanamine

[8-(4-bromophenoxy)quinolin-5-yl]methanamine (PubChem CID 135373454) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is [8-(4-bromophenoxy)quinolin-5-yl]methanamine.

Molecular Properties

Compound Name[8-(4-bromophenoxy)quinolin-5-yl]methanamine
PubChem CID135373454
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC Name[8-(4-bromophenoxy)quinolin-5-yl]methanamine
SMILESNCc1ccc(Oc2ccc(Br)cc2)c2ncccc12
InChIInChI=1S/C16H13BrN2O/c17-12-4-6-13(7-5-12)20-15-8-3-11(10-18)14-2-1-9-19-16(14)15/h1-9H,10,18H2
InChIKeyURNGQESSMDBKOZ-UHFFFAOYSA-N
XLogP4.25
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(8-methylquinolin-5-yl)methanamine
CID 51072174
8-(4-chlorophenoxy)quinolin-5-amine
CID 43450277
5-(4-chlorophenoxy)quinolin-8-amine
CID 43449608
[3-(5-chloroquinolin-8-yl)oxypyridazin-4-yl]methanamine
CID 80507747
[3-bromo-4-(5-chloroquinolin-8-yl)oxyphenyl]methanamine
CID 82784965
[2-(5-chloroquinolin-8-yl)oxy-5-fluorophenyl]methanamine
CID 43314287
[3-[(4-bromophenoxy)methyl]-2-pyridinyl]methanamine
CID 62895549
[2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine
CID 64719510
5-(chloromethyl)-8-[(2-methylpropan-2-yl)oxy]quinoline
CID 58730261
[3-methyl-8-[4-(trifluoromethyl)phenoxy]quinolin-5-yl]methanamine
CID 135373975
5-(3-bromo-5-fluorophenoxy)quinolin-8-amine
CID 81322073
4-(8-ethoxyquinolin-5-yl)butan-1-amine
CID 117362958

Frequently Asked Questions

What is the IUPAC name of [8-(4-bromophenoxy)quinolin-5-yl]methanamine?
The IUPAC name of [8-(4-bromophenoxy)quinolin-5-yl]methanamine (CID 135373454) is [8-(4-bromophenoxy)quinolin-5-yl]methanamine.
What is the SMILES notation for [8-(4-bromophenoxy)quinolin-5-yl]methanamine?
The canonical SMILES for [8-(4-bromophenoxy)quinolin-5-yl]methanamine is NCc1ccc(Oc2ccc(Br)cc2)c2ncccc12.
What is the InChIKey of [8-(4-bromophenoxy)quinolin-5-yl]methanamine?
The InChIKey is URNGQESSMDBKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c17-12-4-6-13(7-5-12)20-15-8-3-11(10-18)14-2-1-9-19-16(14)15/h1-9H,10,18H2.
What are the key properties of [8-(4-bromophenoxy)quinolin-5-yl]methanamine?
[8-(4-bromophenoxy)quinolin-5-yl]methanamine has a molecular weight of 329.20 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(4-bromophenoxy)quinolin-5-yl]methanamine is sourced from PubChem (CID 135373454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).