8-(2,5-dimethylphenoxy)-7-fluoroquinolin-5-amine

C17H15FN2O — CID 83165520

IUPAC8-(2,5-dimethylphenoxy)-7-fluoroquinolin-5-amine
SMILESCc1ccc(C)c(Oc2c(F)cc(N)c3cccnc23)c1
InChIInChI=1S/C17H15FN2O/c1-10-5-6-11(2)15(8-10)21-17-13(18)9-14(19)12-4-3-7-20-16(12)17/h3-9H,19H2,1-2H3
InChIKeyMUTZAOROAFPCID-UHFFFAOYSA-N
MW282.32 g/mol
LogP4.37
Rot. Bonds2

About 8-(2,5-dimethylphenoxy)-7-fluoroquinolin-5-amine

8-(2,5-dimethylphenoxy)-7-fluoroquinolin-5-amine (PubChem CID 83165520) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 8-(2,5-dimethylphenoxy)-7-fluoroquinolin-5-amine.

Molecular Properties

Compound Name8-(2,5-dimethylphenoxy)-7-fluoroquinolin-5-amine
PubChem CID83165520
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name8-(2,5-dimethylphenoxy)-7-fluoroquinolin-5-amine
SMILESCc1ccc(C)c(Oc2c(F)cc(N)c3cccnc23)c1
InChIInChI=1S/C17H15FN2O/c1-10-5-6-11(2)15(8-10)21-17-13(18)9-14(19)12-4-3-7-20-16(12)17/h3-9H,19H2,1-2H3
InChIKeyMUTZAOROAFPCID-UHFFFAOYSA-N
XLogP4.37
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 54.37
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

8-(2-fluoro-5-methylphenoxy)quinolin-5-amine
CID 64855173
5-(2,5-dimethylphenoxy)quinolin-8-amine
CID 43449609
7-fluoro-8-(2-iodophenoxy)quinolin-5-amine
CID 83165526
8-(2,5-dichlorophenoxy)-7-fluoroquinolin-5-amine
CID 83164661
8-(4-bromo-3-methylphenoxy)-7-fluoroquinolin-5-amine
CID 83165372
8-[(2,5-dimethylphenoxy)methyl]quinolin-5-amine
CID 43376447
8-N-(2,4-dimethylphenyl)-7-fluoroquinoline-5,8-diamine
CID 83163894
2-(2-fluoro-5-methylphenoxy)pyridin-3-amine
CID 64855365
2-(2,5-dimethylphenoxy)-3-methylaniline
CID 115550838
8-N-(2-fluoro-5-methylphenyl)quinoline-5,8-diamine
CID 43450217
8-(1-ethylpyrazol-4-yl)oxy-7-fluoroquinolin-5-amine
CID 116800254
3-(5-amino-7-fluoroquinolin-8-yl)oxybenzonitrile
CID 83165691

Frequently Asked Questions

What is the IUPAC name of 8-(2,5-dimethylphenoxy)-7-fluoroquinolin-5-amine?
The IUPAC name of 8-(2,5-dimethylphenoxy)-7-fluoroquinolin-5-amine (CID 83165520) is 8-(2,5-dimethylphenoxy)-7-fluoroquinolin-5-amine.
What is the SMILES notation for 8-(2,5-dimethylphenoxy)-7-fluoroquinolin-5-amine?
The canonical SMILES for 8-(2,5-dimethylphenoxy)-7-fluoroquinolin-5-amine is Cc1ccc(C)c(Oc2c(F)cc(N)c3cccnc23)c1.
What is the InChIKey of 8-(2,5-dimethylphenoxy)-7-fluoroquinolin-5-amine?
The InChIKey is MUTZAOROAFPCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-10-5-6-11(2)15(8-10)21-17-13(18)9-14(19)12-4-3-7-20-16(12)17/h3-9H,19H2,1-2H3.
What are the key properties of 8-(2,5-dimethylphenoxy)-7-fluoroquinolin-5-amine?
8-(2,5-dimethylphenoxy)-7-fluoroquinolin-5-amine has a molecular weight of 282.32 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,5-dimethylphenoxy)-7-fluoroquinolin-5-amine is sourced from PubChem (CID 83165520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).