1-(6-fluoro-4-methoxy-3-phenylquinolin-2-yl)ethanamine

C18H17FN2O — CID 59634651

IUPAC1-(6-fluoro-4-methoxy-3-phenylquinolin-2-yl)ethanamine
SMILESCOc1c(-c2ccccc2)c(C(C)N)nc2ccc(F)cc12
InChIInChI=1S/C18H17FN2O/c1-11(20)17-16(12-6-4-3-5-7-12)18(22-2)14-10-13(19)8-9-15(14)21-17/h3-11H,20H2,1-2H3
InChIKeyAGGJOIWBMLTZRJ-UHFFFAOYSA-N
MW296.35 g/mol
LogP4.07
Rot. Bonds3

About 1-(6-fluoro-4-methoxy-3-phenylquinolin-2-yl)ethanamine

1-(6-fluoro-4-methoxy-3-phenylquinolin-2-yl)ethanamine (PubChem CID 59634651) has the molecular formula C18H17FN2O and a molecular weight of 296.35 g/mol. Its IUPAC name is 1-(6-fluoro-4-methoxy-3-phenylquinolin-2-yl)ethanamine.

Molecular Properties

Compound Name1-(6-fluoro-4-methoxy-3-phenylquinolin-2-yl)ethanamine
PubChem CID59634651
Molecular FormulaC18H17FN2O
Molecular Weight296.35 g/mol
Exact Mass296.13
IUPAC Name1-(6-fluoro-4-methoxy-3-phenylquinolin-2-yl)ethanamine
SMILESCOc1c(-c2ccccc2)c(C(C)N)nc2ccc(F)cc12
InChIInChI=1S/C18H17FN2O/c1-11(20)17-16(12-6-4-3-5-7-12)18(22-2)14-10-13(19)8-9-15(14)21-17/h3-11H,20H2,1-2H3
InChIKeyAGGJOIWBMLTZRJ-UHFFFAOYSA-N
XLogP4.07
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-4-methoxy-3-phenylquinolin-2-yl)ethanamine?
The IUPAC name of 1-(6-fluoro-4-methoxy-3-phenylquinolin-2-yl)ethanamine (CID 59634651) is 1-(6-fluoro-4-methoxy-3-phenylquinolin-2-yl)ethanamine.
What is the SMILES notation for 1-(6-fluoro-4-methoxy-3-phenylquinolin-2-yl)ethanamine?
The canonical SMILES for 1-(6-fluoro-4-methoxy-3-phenylquinolin-2-yl)ethanamine is COc1c(-c2ccccc2)c(C(C)N)nc2ccc(F)cc12.
What is the InChIKey of 1-(6-fluoro-4-methoxy-3-phenylquinolin-2-yl)ethanamine?
The InChIKey is AGGJOIWBMLTZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-11(20)17-16(12-6-4-3-5-7-12)18(22-2)14-10-13(19)8-9-15(14)21-17/h3-11H,20H2,1-2H3.
What are the key properties of 1-(6-fluoro-4-methoxy-3-phenylquinolin-2-yl)ethanamine?
1-(6-fluoro-4-methoxy-3-phenylquinolin-2-yl)ethanamine has a molecular weight of 296.35 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-4-methoxy-3-phenylquinolin-2-yl)ethanamine is sourced from PubChem (CID 59634651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).