6-(4-bromo-3,5-dimethylphenoxy)quinolin-5-amine

C17H15BrN2O — CID 107722598

IUPAC6-(4-bromo-3,5-dimethylphenoxy)quinolin-5-amine
SMILESCc1cc(Oc2ccc3ncccc3c2N)cc(C)c1Br
InChIInChI=1S/C17H15BrN2O/c1-10-8-12(9-11(2)16(10)18)21-15-6-5-14-13(17(15)19)4-3-7-20-14/h3-9H,19H2,1-2H3
InChIKeyISNOHEFEMNVLJP-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.99
Rot. Bonds2

About 6-(4-bromo-3,5-dimethylphenoxy)quinolin-5-amine

6-(4-bromo-3,5-dimethylphenoxy)quinolin-5-amine (PubChem CID 107722598) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is 6-(4-bromo-3,5-dimethylphenoxy)quinolin-5-amine.

Molecular Properties

Compound Name6-(4-bromo-3,5-dimethylphenoxy)quinolin-5-amine
PubChem CID107722598
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name6-(4-bromo-3,5-dimethylphenoxy)quinolin-5-amine
SMILESCc1cc(Oc2ccc3ncccc3c2N)cc(C)c1Br
InChIInChI=1S/C17H15BrN2O/c1-10-8-12(9-11(2)16(10)18)21-15-6-5-14-13(17(15)19)4-3-7-20-14/h3-9H,19H2,1-2H3
InChIKeyISNOHEFEMNVLJP-UHFFFAOYSA-N
XLogP4.99
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.99
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

5-(4-bromo-3,5-dimethylphenoxy)quinolin-8-amine
CID 107722592
6-(3-bromo-5-fluorophenoxy)quinolin-5-amine
CID 81322745
6-(3-methoxyphenoxy)quinolin-5-amine
CID 43809791
6-(2-fluoro-3-methylphenoxy)quinolin-5-amine
CID 107655430
6-(4-bromo-2,5-dichlorophenoxy)quinolin-5-amine
CID 107655292
6-(2-chloro-5-methylphenoxy)quinolin-5-amine
CID 43809883
6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]quinolin-5-amine
CID 103174392
6-(1-propan-2-ylpyrazol-4-yl)oxyquinolin-5-amine
CID 116800507
6-(2-iodophenoxy)quinolin-5-amine
CID 43809889
6-(2-chloro-4-fluorophenoxy)quinolin-5-amine
CID 60970898
(5-aminoquinolin-6-yl) hydrogen carbonate
CID 70482347
7-bromo-5-methylquinolin-6-amine
CID 167472712

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-3,5-dimethylphenoxy)quinolin-5-amine?
The IUPAC name of 6-(4-bromo-3,5-dimethylphenoxy)quinolin-5-amine (CID 107722598) is 6-(4-bromo-3,5-dimethylphenoxy)quinolin-5-amine.
What is the SMILES notation for 6-(4-bromo-3,5-dimethylphenoxy)quinolin-5-amine?
The canonical SMILES for 6-(4-bromo-3,5-dimethylphenoxy)quinolin-5-amine is Cc1cc(Oc2ccc3ncccc3c2N)cc(C)c1Br.
What is the InChIKey of 6-(4-bromo-3,5-dimethylphenoxy)quinolin-5-amine?
The InChIKey is ISNOHEFEMNVLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c1-10-8-12(9-11(2)16(10)18)21-15-6-5-14-13(17(15)19)4-3-7-20-14/h3-9H,19H2,1-2H3.
What are the key properties of 6-(4-bromo-3,5-dimethylphenoxy)quinolin-5-amine?
6-(4-bromo-3,5-dimethylphenoxy)quinolin-5-amine has a molecular weight of 343.22 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-3,5-dimethylphenoxy)quinolin-5-amine is sourced from PubChem (CID 107722598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).