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

C11H13F2N3O — CID 58304186

IUPAC(4R)-4-(3-aminophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine
SMILESC[C@]1(c2cccc(N)c2)N=C(N)OCC1(F)F
InChIInChI=1S/C11H13F2N3O/c1-10(7-3-2-4-8(14)5-7)11(12,13)6-17-9(15)16-10/h2-5H,6,14H2,1H3,(H2,15,16)/t10-/m1/s1
InChIKeyHLTZKYFVTJRRAW-SNVBAGLBSA-N
MW241.24 g/mol
LogP1.46
Rot. Bonds1

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

(4R)-4-(3-aminophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine (PubChem CID 58304186) has the molecular formula C11H13F2N3O and a molecular weight of 241.24 g/mol. Its IUPAC name is (4R)-4-(3-aminophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine.

Molecular Properties

Compound Name(4R)-4-(3-aminophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine
PubChem CID58304186
Molecular FormulaC11H13F2N3O
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name(4R)-4-(3-aminophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine
SMILESC[C@]1(c2cccc(N)c2)N=C(N)OCC1(F)F
InChIInChI=1S/C11H13F2N3O/c1-10(7-3-2-4-8(14)5-7)11(12,13)6-17-9(15)16-10/h2-5H,6,14H2,1H3,(H2,15,16)/t10-/m1/s1
InChIKeyHLTZKYFVTJRRAW-SNVBAGLBSA-N
XLogP1.46
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine
CID 144615664
(5R,6R)-5-(5-amino-2-fluorophenyl)-6-fluoro-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
CID 122196030
(5R,6R)-5-(5-amino-2-fluorophenyl)-5-methyl-6-(trifluoromethyl)-5,6-dihydro-2H-1,4-oxazin-3-amine
CID 122196031
(4R,5R,6R)-5-fluoro-6-[(1R)-1-fluoroethyl]-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine
CID 118441038
(4R,5R,6R)-5-fluoro-6-[(1R)-1-fluoroethyl]-4-(2-fluoro-5-nitrophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine
CID 118441050
tert-butyl N-[(4R,5R,6R)-4-(5-amino-2-fluorophenyl)-5-fluoro-6-[(1R)-1-fluoroethyl]-4-methyl-5,6-dihydro-1,3-oxazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 126693463
ethyl N'-[4-(trifluoromethyl)phenyl]carbamimidate
CID 9921019
N-[3-((R)-2-Amino-5,5-difluoro-4-methyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-acetamide
CID 53241304
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-2,3,3,3-tetrafluoropropanamide
CID 53241782
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-3,3,3-trifluoropropanamide
CID 53241993
(8aS)-8a-(5-amino-2-fluorophenyl)-5,6,7,8-tetrahydro-3,1-benzoxazin-2-amine
CID 53251670
(8aS)-8a-(5-amino-2-fluorophenyl)-4,6,7,8-tetrahydro-3,1-benzoxazin-2-amine
CID 53251671

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-aminophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine?
The IUPAC name of (4R)-4-(3-aminophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine (CID 58304186) is (4R)-4-(3-aminophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine.
What is the SMILES notation for (4R)-4-(3-aminophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine?
The canonical SMILES for (4R)-4-(3-aminophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine is C[C@]1(c2cccc(N)c2)N=C(N)OCC1(F)F.
What is the InChIKey of (4R)-4-(3-aminophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine?
The InChIKey is HLTZKYFVTJRRAW-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13F2N3O/c1-10(7-3-2-4-8(14)5-7)11(12,13)6-17-9(15)16-10/h2-5H,6,14H2,1H3,(H2,15,16)/t10-/m1/s1.
What are the key properties of (4R)-4-(3-aminophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine?
(4R)-4-(3-aminophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine has a molecular weight of 241.24 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-aminophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine is sourced from PubChem (CID 58304186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).