8-(2-aminoethyl)-6-fluoro-2,4-dimethyl-1,4-benzoxazin-3-one

C12H15FN2O2 — CID 82275415

IUPAC8-(2-aminoethyl)-6-fluoro-2,4-dimethyl-1,4-benzoxazin-3-one
SMILESCC1Oc2c(CCN)cc(F)cc2N(C)C1=O
InChIInChI=1S/C12H15FN2O2/c1-7-12(16)15(2)10-6-9(13)5-8(3-4-14)11(10)17-7/h5-7H,3-4,14H2,1-2H3
InChIKeyCOEWZYWURPEJAK-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.07
Rot. Bonds2

About 8-(2-aminoethyl)-6-fluoro-2,4-dimethyl-1,4-benzoxazin-3-one

8-(2-aminoethyl)-6-fluoro-2,4-dimethyl-1,4-benzoxazin-3-one (PubChem CID 82275415) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 8-(2-aminoethyl)-6-fluoro-2,4-dimethyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name8-(2-aminoethyl)-6-fluoro-2,4-dimethyl-1,4-benzoxazin-3-one
PubChem CID82275415
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name8-(2-aminoethyl)-6-fluoro-2,4-dimethyl-1,4-benzoxazin-3-one
SMILESCC1Oc2c(CCN)cc(F)cc2N(C)C1=O
InChIInChI=1S/C12H15FN2O2/c1-7-12(16)15(2)10-6-9(13)5-8(3-4-14)11(10)17-7/h5-7H,3-4,14H2,1-2H3
InChIKeyCOEWZYWURPEJAK-UHFFFAOYSA-N
XLogP1.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2-aminoethyl)-6-fluoro-2,4-dimethyl-1,4-benzoxazin-3-one?
The IUPAC name of 8-(2-aminoethyl)-6-fluoro-2,4-dimethyl-1,4-benzoxazin-3-one (CID 82275415) is 8-(2-aminoethyl)-6-fluoro-2,4-dimethyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 8-(2-aminoethyl)-6-fluoro-2,4-dimethyl-1,4-benzoxazin-3-one?
The canonical SMILES for 8-(2-aminoethyl)-6-fluoro-2,4-dimethyl-1,4-benzoxazin-3-one is CC1Oc2c(CCN)cc(F)cc2N(C)C1=O.
What is the InChIKey of 8-(2-aminoethyl)-6-fluoro-2,4-dimethyl-1,4-benzoxazin-3-one?
The InChIKey is COEWZYWURPEJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-7-12(16)15(2)10-6-9(13)5-8(3-4-14)11(10)17-7/h5-7H,3-4,14H2,1-2H3.
What are the key properties of 8-(2-aminoethyl)-6-fluoro-2,4-dimethyl-1,4-benzoxazin-3-one?
8-(2-aminoethyl)-6-fluoro-2,4-dimethyl-1,4-benzoxazin-3-one has a molecular weight of 238.26 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminoethyl)-6-fluoro-2,4-dimethyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 82275415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).