6-(1-aminoethyl)-2-ethyl-4-methyl-1,4-benzoxazin-3-one

C13H18N2O2 — CID 82025543

IUPAC6-(1-aminoethyl)-2-ethyl-4-methyl-1,4-benzoxazin-3-one
SMILESCCC1Oc2ccc(C(C)N)cc2N(C)C1=O
InChIInChI=1S/C13H18N2O2/c1-4-11-13(16)15(3)10-7-9(8(2)14)5-6-12(10)17-11/h5-8,11H,4,14H2,1-3H3
InChIKeyNXRWFEBIDVJPCT-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.84
Rot. Bonds2

About 6-(1-aminoethyl)-2-ethyl-4-methyl-1,4-benzoxazin-3-one

6-(1-aminoethyl)-2-ethyl-4-methyl-1,4-benzoxazin-3-one (PubChem CID 82025543) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-(1-aminoethyl)-2-ethyl-4-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(1-aminoethyl)-2-ethyl-4-methyl-1,4-benzoxazin-3-one
PubChem CID82025543
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name6-(1-aminoethyl)-2-ethyl-4-methyl-1,4-benzoxazin-3-one
SMILESCCC1Oc2ccc(C(C)N)cc2N(C)C1=O
InChIInChI=1S/C13H18N2O2/c1-4-11-13(16)15(3)10-7-9(8(2)14)5-6-12(10)17-11/h5-8,11H,4,14H2,1-3H3
InChIKeyNXRWFEBIDVJPCT-UHFFFAOYSA-N
XLogP1.84
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-aminoethyl)-2-ethyl-4-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 6-(1-aminoethyl)-2-ethyl-4-methyl-1,4-benzoxazin-3-one (CID 82025543) is 6-(1-aminoethyl)-2-ethyl-4-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(1-aminoethyl)-2-ethyl-4-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(1-aminoethyl)-2-ethyl-4-methyl-1,4-benzoxazin-3-one is CCC1Oc2ccc(C(C)N)cc2N(C)C1=O.
What is the InChIKey of 6-(1-aminoethyl)-2-ethyl-4-methyl-1,4-benzoxazin-3-one?
The InChIKey is NXRWFEBIDVJPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-4-11-13(16)15(3)10-7-9(8(2)14)5-6-12(10)17-11/h5-8,11H,4,14H2,1-3H3.
What are the key properties of 6-(1-aminoethyl)-2-ethyl-4-methyl-1,4-benzoxazin-3-one?
6-(1-aminoethyl)-2-ethyl-4-methyl-1,4-benzoxazin-3-one has a molecular weight of 234.30 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminoethyl)-2-ethyl-4-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 82025543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).