2-(6-fluoro-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylethanamine

C13H19FN2O — CID 84629148

IUPAC2-(6-fluoro-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylethanamine
SMILESCNCCC1Oc2ccc(F)cc2N(C)C1C
InChIInChI=1S/C13H19FN2O/c1-9-12(6-7-15-2)17-13-5-4-10(14)8-11(13)16(9)3/h4-5,8-9,12,15H,6-7H2,1-3H3
InChIKeyDRCUJBMBQWIPHH-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.02
Rot. Bonds3

About 2-(6-fluoro-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylethanamine

2-(6-fluoro-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylethanamine (PubChem CID 84629148) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-(6-fluoro-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(6-fluoro-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylethanamine
PubChem CID84629148
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-(6-fluoro-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylethanamine
SMILESCNCCC1Oc2ccc(F)cc2N(C)C1C
InChIInChI=1S/C13H19FN2O/c1-9-12(6-7-15-2)17-13-5-4-10(14)8-11(13)16(9)3/h4-5,8-9,12,15H,6-7H2,1-3H3
InChIKeyDRCUJBMBQWIPHH-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylethanamine?
The IUPAC name of 2-(6-fluoro-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylethanamine (CID 84629148) is 2-(6-fluoro-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(6-fluoro-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(6-fluoro-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylethanamine is CNCCC1Oc2ccc(F)cc2N(C)C1C.
What is the InChIKey of 2-(6-fluoro-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylethanamine?
The InChIKey is DRCUJBMBQWIPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-9-12(6-7-15-2)17-13-5-4-10(14)8-11(13)16(9)3/h4-5,8-9,12,15H,6-7H2,1-3H3.
What are the key properties of 2-(6-fluoro-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylethanamine?
2-(6-fluoro-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylethanamine has a molecular weight of 238.31 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylethanamine is sourced from PubChem (CID 84629148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).