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

C16H23N3O2 — CID 82368136

IUPAC3-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2H-1,4-benzoxazin-6-amine
SMILESCCC1Oc2ccc(N)cc2N=C1N1CC(C)OC(C)C1
InChIInChI=1S/C16H23N3O2/c1-4-14-16(19-8-10(2)20-11(3)9-19)18-13-7-12(17)5-6-15(13)21-14/h5-7,10-11,14H,4,8-9,17H2,1-3H3
InChIKeyMIZXAUMKHUDIDC-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.58
Rot. Bonds1

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

3-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2H-1,4-benzoxazin-6-amine (PubChem CID 82368136) 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-6-amine.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2H-1,4-benzoxazin-6-amine
PubChem CID82368136
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2H-1,4-benzoxazin-6-amine
SMILESCCC1Oc2ccc(N)cc2N=C1N1CC(C)OC(C)C1
InChIInChI=1S/C16H23N3O2/c1-4-14-16(19-8-10(2)20-11(3)9-19)18-13-7-12(17)5-6-15(13)21-14/h5-7,10-11,14H,4,8-9,17H2,1-3H3
InChIKeyMIZXAUMKHUDIDC-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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Related Compounds

3-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2H-1,4-benzoxazin-7-amine
CID 82368160
3-(2,6-dimethylpiperidin-1-yl)-2-ethyl-2H-1,4-benzoxazin-6-amine
CID 82368130
3-N,3-N,2-triethyl-2H-1,4-benzoxazine-3,6-diamine
CID 82368140
2-methyl-3-piperazin-1-yl-2H-1,4-benzoxazin-6-amine
CID 82368121
2-ethyl-3-N-methyl-3-N-phenyl-2H-1,4-benzoxazine-3,6-diamine
CID 82368347
3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-2H-1,4-benzoxazin-6-amine
CID 82368103
3-[(6-amino-2-ethyl-2H-1,4-benzoxazin-3-yl)amino]phenol
CID 82368350
2-methyl-3-(3-methylpiperidin-1-yl)-2H-1,4-benzoxazin-7-amine
CID 82368176
4-(2,6-dimethylmorpholin-4-yl)-3-N-methylbenzene-1,3-diamine
CID 171774754
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-nitroaniline
CID 26597523
1-(7-amino-2-methyl-2H-1,4-benzoxazin-3-yl)piperidine-4-carboxamide
CID 82368002
4-amino-2-[(2,6-dimethylmorpholin-4-yl)methyl]phenol
CID 43375473

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2H-1,4-benzoxazin-6-amine?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2H-1,4-benzoxazin-6-amine (CID 82368136) is 3-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2H-1,4-benzoxazin-6-amine.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2H-1,4-benzoxazin-6-amine?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2H-1,4-benzoxazin-6-amine is CCC1Oc2ccc(N)cc2N=C1N1CC(C)OC(C)C1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2H-1,4-benzoxazin-6-amine?
The InChIKey is MIZXAUMKHUDIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-14-16(19-8-10(2)20-11(3)9-19)18-13-7-12(17)5-6-15(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-6-amine?
3-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2H-1,4-benzoxazin-6-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-6-amine is sourced from PubChem (CID 82368136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).