2-ethyl-3-fluoro-5-methylquinolin-6-amine

C12H13FN2 — CID 166948331

IUPAC2-ethyl-3-fluoro-5-methylquinolin-6-amine
SMILESCCc1nc2ccc(N)c(C)c2cc1F
InChIInChI=1S/C12H13FN2/c1-3-11-9(13)6-8-7(2)10(14)4-5-12(8)15-11/h4-6H,3,14H2,1-2H3
InChIKeyYJPRPVRVJJSBGM-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.83
Rot. Bonds1

About 2-ethyl-3-fluoro-5-methylquinolin-6-amine

2-ethyl-3-fluoro-5-methylquinolin-6-amine (PubChem CID 166948331) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is 2-ethyl-3-fluoro-5-methylquinolin-6-amine.

Molecular Properties

Compound Name2-ethyl-3-fluoro-5-methylquinolin-6-amine
PubChem CID166948331
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name2-ethyl-3-fluoro-5-methylquinolin-6-amine
SMILESCCc1nc2ccc(N)c(C)c2cc1F
InChIInChI=1S/C12H13FN2/c1-3-11-9(13)6-8-7(2)10(14)4-5-12(8)15-11/h4-6H,3,14H2,1-2H3
InChIKeyYJPRPVRVJJSBGM-UHFFFAOYSA-N
XLogP2.83
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-fluoro-5-methylquinolin-6-amine?
The IUPAC name of 2-ethyl-3-fluoro-5-methylquinolin-6-amine (CID 166948331) is 2-ethyl-3-fluoro-5-methylquinolin-6-amine.
What is the SMILES notation for 2-ethyl-3-fluoro-5-methylquinolin-6-amine?
The canonical SMILES for 2-ethyl-3-fluoro-5-methylquinolin-6-amine is CCc1nc2ccc(N)c(C)c2cc1F.
What is the InChIKey of 2-ethyl-3-fluoro-5-methylquinolin-6-amine?
The InChIKey is YJPRPVRVJJSBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2/c1-3-11-9(13)6-8-7(2)10(14)4-5-12(8)15-11/h4-6H,3,14H2,1-2H3.
What are the key properties of 2-ethyl-3-fluoro-5-methylquinolin-6-amine?
2-ethyl-3-fluoro-5-methylquinolin-6-amine has a molecular weight of 204.25 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-fluoro-5-methylquinolin-6-amine is sourced from PubChem (CID 166948331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).