(5R)-5-(3-aminophenyl)-5-methyl-2,6-dihydro-1,4-oxazin-3-amine

C11H15N3O — CID 57495971

IUPAC(5R)-5-(3-aminophenyl)-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
SMILESC[C@@]1(c2cccc(N)c2)COCC(N)=N1
InChIInChI=1S/C11H15N3O/c1-11(7-15-6-10(13)14-11)8-3-2-4-9(12)5-8/h2-5H,6-7,12H2,1H3,(H2,13,14)/t11-/m0/s1
InChIKeyIWNXZZUSJQOSBO-NSHDSACASA-N
MW205.26 g/mol
LogP0.87
Rot. Bonds1

About (5R)-5-(3-aminophenyl)-5-methyl-2,6-dihydro-1,4-oxazin-3-amine

(5R)-5-(3-aminophenyl)-5-methyl-2,6-dihydro-1,4-oxazin-3-amine (PubChem CID 57495971) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is (5R)-5-(3-aminophenyl)-5-methyl-2,6-dihydro-1,4-oxazin-3-amine.

Molecular Properties

Compound Name(5R)-5-(3-aminophenyl)-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
PubChem CID57495971
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name(5R)-5-(3-aminophenyl)-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
SMILESC[C@@]1(c2cccc(N)c2)COCC(N)=N1
InChIInChI=1S/C11H15N3O/c1-11(7-15-6-10(13)14-11)8-3-2-4-9(12)5-8/h2-5H,6-7,12H2,1H3,(H2,13,14)/t11-/m0/s1
InChIKeyIWNXZZUSJQOSBO-NSHDSACASA-N
XLogP0.87
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5R)-5-(3-aminophenyl)-5-methyl-2,6-dihydro-1,4-oxazin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(3-aminophenyl)-5-methyl-2,6-dihydro-1,4-oxazin-3-amine?
The IUPAC name of (5R)-5-(3-aminophenyl)-5-methyl-2,6-dihydro-1,4-oxazin-3-amine (CID 57495971) is (5R)-5-(3-aminophenyl)-5-methyl-2,6-dihydro-1,4-oxazin-3-amine.
What is the SMILES notation for (5R)-5-(3-aminophenyl)-5-methyl-2,6-dihydro-1,4-oxazin-3-amine?
The canonical SMILES for (5R)-5-(3-aminophenyl)-5-methyl-2,6-dihydro-1,4-oxazin-3-amine is C[C@@]1(c2cccc(N)c2)COCC(N)=N1.
What is the InChIKey of (5R)-5-(3-aminophenyl)-5-methyl-2,6-dihydro-1,4-oxazin-3-amine?
The InChIKey is IWNXZZUSJQOSBO-NSHDSACASA-N. The full InChI is InChI=1S/C11H15N3O/c1-11(7-15-6-10(13)14-11)8-3-2-4-9(12)5-8/h2-5H,6-7,12H2,1H3,(H2,13,14)/t11-/m0/s1.
What are the key properties of (5R)-5-(3-aminophenyl)-5-methyl-2,6-dihydro-1,4-oxazin-3-amine?
(5R)-5-(3-aminophenyl)-5-methyl-2,6-dihydro-1,4-oxazin-3-amine has a molecular weight of 205.26 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(3-aminophenyl)-5-methyl-2,6-dihydro-1,4-oxazin-3-amine is sourced from PubChem (CID 57495971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).