2-(8-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine

C11H15FN2O — CID 84621369

IUPAC2-(8-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine
SMILESCC1Nc2cccc(F)c2OC1CCN
InChIInChI=1S/C11H15FN2O/c1-7-10(5-6-13)15-11-8(12)3-2-4-9(11)14-7/h2-4,7,10,14H,5-6,13H2,1H3
InChIKeyLKCQKQWJWJIDNF-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.74
Rot. Bonds2

About 2-(8-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine

2-(8-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine (PubChem CID 84621369) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 2-(8-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(8-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine
PubChem CID84621369
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name2-(8-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine
SMILESCC1Nc2cccc(F)c2OC1CCN
InChIInChI=1S/C11H15FN2O/c1-7-10(5-6-13)15-11-8(12)3-2-4-9(11)14-7/h2-4,7,10,14H,5-6,13H2,1H3
InChIKeyLKCQKQWJWJIDNF-UHFFFAOYSA-N
XLogP1.74
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine?
The IUPAC name of 2-(8-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine (CID 84621369) is 2-(8-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine.
What is the SMILES notation for 2-(8-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine?
The canonical SMILES for 2-(8-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine is CC1Nc2cccc(F)c2OC1CCN.
What is the InChIKey of 2-(8-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine?
The InChIKey is LKCQKQWJWJIDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-7-10(5-6-13)15-11-8(12)3-2-4-9(11)14-7/h2-4,7,10,14H,5-6,13H2,1H3.
What are the key properties of 2-(8-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine?
2-(8-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine has a molecular weight of 210.25 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine is sourced from PubChem (CID 84621369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).