1-(7-fluoro-2-methylquinazolin-4-yl)ethanamine

C11H12FN3 — CID 105457285

IUPAC1-(7-fluoro-2-methylquinazolin-4-yl)ethanamine
SMILESCc1nc(C(C)N)c2ccc(F)cc2n1
InChIInChI=1S/C11H12FN3/c1-6(13)11-9-4-3-8(12)5-10(9)14-7(2)15-11/h3-6H,13H2,1-2H3
InChIKeyXBPPEEDFYIJISG-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.10
Rot. Bonds1

About 1-(7-fluoro-2-methylquinazolin-4-yl)ethanamine

1-(7-fluoro-2-methylquinazolin-4-yl)ethanamine (PubChem CID 105457285) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 1-(7-fluoro-2-methylquinazolin-4-yl)ethanamine.

Molecular Properties

Compound Name1-(7-fluoro-2-methylquinazolin-4-yl)ethanamine
PubChem CID105457285
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name1-(7-fluoro-2-methylquinazolin-4-yl)ethanamine
SMILESCc1nc(C(C)N)c2ccc(F)cc2n1
InChIInChI=1S/C11H12FN3/c1-6(13)11-9-4-3-8(12)5-10(9)14-7(2)15-11/h3-6H,13H2,1-2H3
InChIKeyXBPPEEDFYIJISG-UHFFFAOYSA-N
XLogP2.10
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-2-methylquinazolin-4-yl)ethanamine?
The IUPAC name of 1-(7-fluoro-2-methylquinazolin-4-yl)ethanamine (CID 105457285) is 1-(7-fluoro-2-methylquinazolin-4-yl)ethanamine.
What is the SMILES notation for 1-(7-fluoro-2-methylquinazolin-4-yl)ethanamine?
The canonical SMILES for 1-(7-fluoro-2-methylquinazolin-4-yl)ethanamine is Cc1nc(C(C)N)c2ccc(F)cc2n1.
What is the InChIKey of 1-(7-fluoro-2-methylquinazolin-4-yl)ethanamine?
The InChIKey is XBPPEEDFYIJISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-6(13)11-9-4-3-8(12)5-10(9)14-7(2)15-11/h3-6H,13H2,1-2H3.
What are the key properties of 1-(7-fluoro-2-methylquinazolin-4-yl)ethanamine?
1-(7-fluoro-2-methylquinazolin-4-yl)ethanamine has a molecular weight of 205.24 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-2-methylquinazolin-4-yl)ethanamine is sourced from PubChem (CID 105457285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).