8-[(5-fluoro-2-methylphenyl)methoxy]quinolin-5-amine

C17H15FN2O — CID 105369730

IUPAC8-[(5-fluoro-2-methylphenyl)methoxy]quinolin-5-amine
SMILESCc1ccc(F)cc1COc1ccc(N)c2cccnc12
InChIInChI=1S/C17H15FN2O/c1-11-4-5-13(18)9-12(11)10-21-16-7-6-15(19)14-3-2-8-20-17(14)16/h2-9H,10,19H2,1H3
InChIKeyRYSYGVHLQYWCRE-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.84
Rot. Bonds3

About 8-[(5-fluoro-2-methylphenyl)methoxy]quinolin-5-amine

8-[(5-fluoro-2-methylphenyl)methoxy]quinolin-5-amine (PubChem CID 105369730) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 8-[(5-fluoro-2-methylphenyl)methoxy]quinolin-5-amine.

Molecular Properties

Compound Name8-[(5-fluoro-2-methylphenyl)methoxy]quinolin-5-amine
PubChem CID105369730
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name8-[(5-fluoro-2-methylphenyl)methoxy]quinolin-5-amine
SMILESCc1ccc(F)cc1COc1ccc(N)c2cccnc12
InChIInChI=1S/C17H15FN2O/c1-11-4-5-13(18)9-12(11)10-21-16-7-6-15(19)14-3-2-8-20-17(14)16/h2-9H,10,19H2,1H3
InChIKeyRYSYGVHLQYWCRE-UHFFFAOYSA-N
XLogP3.84
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.84
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-[(2,5-dimethylphenyl)methoxy]quinolin-8-amine
CID 116524807
8-[(2,5-dimethylphenoxy)methyl]quinolin-5-amine
CID 43376447
8-[(3-chloro-2-fluorophenyl)methoxy]quinolin-5-amine
CID 102855349
8-[(2,4-dichlorophenyl)methoxy]quinolin-5-amine
CID 60864766
5-[(4-fluorophenyl)methoxy]quinolin-8-amine
CID 116524613
3-[(5-aminoquinolin-8-yl)oxymethyl]pyridine-2-carbonitrile
CID 62890135
2-amino-3-[(5-fluoro-2-methylphenyl)methoxy]phenol
CID 105369791
3-[(4-fluoro-2-methylphenyl)methoxy]pyridin-2-amine
CID 114345632
[2-[(2,5-dimethylphenyl)methoxy]-5-fluorophenyl]methanol
CID 107698577
3-[(5-fluoro-2-methylphenyl)methoxy]-4-methoxyaniline
CID 105369714
5-fluoro-2-(quinolin-8-ylmethoxy)aniline
CID 62369996
5-[(5-fluoro-2-methylphenyl)methoxy]-2-methoxyaniline
CID 103201230

Frequently Asked Questions

What is the IUPAC name of 8-[(5-fluoro-2-methylphenyl)methoxy]quinolin-5-amine?
The IUPAC name of 8-[(5-fluoro-2-methylphenyl)methoxy]quinolin-5-amine (CID 105369730) is 8-[(5-fluoro-2-methylphenyl)methoxy]quinolin-5-amine.
What is the SMILES notation for 8-[(5-fluoro-2-methylphenyl)methoxy]quinolin-5-amine?
The canonical SMILES for 8-[(5-fluoro-2-methylphenyl)methoxy]quinolin-5-amine is Cc1ccc(F)cc1COc1ccc(N)c2cccnc12.
What is the InChIKey of 8-[(5-fluoro-2-methylphenyl)methoxy]quinolin-5-amine?
The InChIKey is RYSYGVHLQYWCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-11-4-5-13(18)9-12(11)10-21-16-7-6-15(19)14-3-2-8-20-17(14)16/h2-9H,10,19H2,1H3.
What are the key properties of 8-[(5-fluoro-2-methylphenyl)methoxy]quinolin-5-amine?
8-[(5-fluoro-2-methylphenyl)methoxy]quinolin-5-amine has a molecular weight of 282.32 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-fluoro-2-methylphenyl)methoxy]quinolin-5-amine is sourced from PubChem (CID 105369730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).