3-(methylamino)-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one

C13H18N2O2 — CID 83632912

IUPAC3-(methylamino)-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one
SMILESCNCCC(=O)N1CCOc2cc(C)ccc21
InChIInChI=1S/C13H18N2O2/c1-10-3-4-11-12(9-10)17-8-7-15(11)13(16)5-6-14-2/h3-4,9,14H,5-8H2,1-2H3
InChIKeyHDXYNASQHOZYLB-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.33
Rot. Bonds3

About 3-(methylamino)-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one

3-(methylamino)-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one (PubChem CID 83632912) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-(methylamino)-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one.

Molecular Properties

Compound Name3-(methylamino)-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one
PubChem CID83632912
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-(methylamino)-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one
SMILESCNCCC(=O)N1CCOc2cc(C)ccc21
InChIInChI=1S/C13H18N2O2/c1-10-3-4-11-12(9-10)17-8-7-15(11)13(16)5-6-14-2/h3-4,9,14H,5-8H2,1-2H3
InChIKeyHDXYNASQHOZYLB-UHFFFAOYSA-N
XLogP1.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one?
The IUPAC name of 3-(methylamino)-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one (CID 83632912) is 3-(methylamino)-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one.
What is the SMILES notation for 3-(methylamino)-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one?
The canonical SMILES for 3-(methylamino)-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one is CNCCC(=O)N1CCOc2cc(C)ccc21.
What is the InChIKey of 3-(methylamino)-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one?
The InChIKey is HDXYNASQHOZYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-3-4-11-12(9-10)17-8-7-15(11)13(16)5-6-14-2/h3-4,9,14H,5-8H2,1-2H3.
What are the key properties of 3-(methylamino)-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one?
3-(methylamino)-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one has a molecular weight of 234.30 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one is sourced from PubChem (CID 83632912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).