3-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2H-1,4-benzoxazin-7-amine

C16H23N3O2 — CID 82368160

IUPAC3-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2H-1,4-benzoxazin-7-amine
SMILESCCC1Oc2cc(N)ccc2N=C1N1CC(C)OC(C)C1
InChIInChI=1S/C16H23N3O2/c1-4-14-16(19-8-10(2)20-11(3)9-19)18-13-6-5-12(17)7-15(13)21-14/h5-7,10-11,14H,4,8-9,17H2,1-3H3
InChIKeyCJAVWPIBVUKEJE-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.58
Rot. Bonds1

About 3-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2H-1,4-benzoxazin-7-amine

3-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2H-1,4-benzoxazin-7-amine (PubChem CID 82368160) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2H-1,4-benzoxazin-7-amine.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2H-1,4-benzoxazin-7-amine
PubChem CID82368160
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2H-1,4-benzoxazin-7-amine
SMILESCCC1Oc2cc(N)ccc2N=C1N1CC(C)OC(C)C1
InChIInChI=1S/C16H23N3O2/c1-4-14-16(19-8-10(2)20-11(3)9-19)18-13-6-5-12(17)7-15(13)21-14/h5-7,10-11,14H,4,8-9,17H2,1-3H3
InChIKeyCJAVWPIBVUKEJE-UHFFFAOYSA-N
XLogP2.58
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2H-1,4-benzoxazin-7-amine?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2H-1,4-benzoxazin-7-amine (CID 82368160) is 3-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2H-1,4-benzoxazin-7-amine.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2H-1,4-benzoxazin-7-amine?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2H-1,4-benzoxazin-7-amine is CCC1Oc2cc(N)ccc2N=C1N1CC(C)OC(C)C1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2H-1,4-benzoxazin-7-amine?
The InChIKey is CJAVWPIBVUKEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-14-16(19-8-10(2)20-11(3)9-19)18-13-6-5-12(17)7-15(13)21-14/h5-7,10-11,14H,4,8-9,17H2,1-3H3.
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2H-1,4-benzoxazin-7-amine?
3-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2H-1,4-benzoxazin-7-amine has a molecular weight of 289.38 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2H-1,4-benzoxazin-7-amine is sourced from PubChem (CID 82368160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).