(4S)-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine

C11H14FN3O — CID 67236054

IUPAC(4S)-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine
SMILESC[C@@]1(c2cc(N)ccc2F)CCOC(N)=N1
InChIInChI=1S/C11H14FN3O/c1-11(4-5-16-10(14)15-11)8-6-7(13)2-3-9(8)12/h2-3,6H,4-5,13H2,1H3,(H2,14,15)/t11-/m0/s1
InChIKeyCUOCSNSJNQVYNL-NSHDSACASA-N
MW223.25 g/mol
LogP1.36
Rot. Bonds1

About (4S)-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine

(4S)-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine (PubChem CID 67236054) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is (4S)-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine.

Molecular Properties

Compound Name(4S)-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine
PubChem CID67236054
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name(4S)-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine
SMILESC[C@@]1(c2cc(N)ccc2F)CCOC(N)=N1
InChIInChI=1S/C11H14FN3O/c1-11(4-5-16-10(14)15-11)8-6-7(13)2-3-9(8)12/h2-3,6H,4-5,13H2,1H3,(H2,14,15)/t11-/m0/s1
InChIKeyCUOCSNSJNQVYNL-NSHDSACASA-N
XLogP1.36
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine?
The IUPAC name of (4S)-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine (CID 67236054) is (4S)-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine.
What is the SMILES notation for (4S)-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine?
The canonical SMILES for (4S)-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine is C[C@@]1(c2cc(N)ccc2F)CCOC(N)=N1.
What is the InChIKey of (4S)-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine?
The InChIKey is CUOCSNSJNQVYNL-NSHDSACASA-N. The full InChI is InChI=1S/C11H14FN3O/c1-11(4-5-16-10(14)15-11)8-6-7(13)2-3-9(8)12/h2-3,6H,4-5,13H2,1H3,(H2,14,15)/t11-/m0/s1.
What are the key properties of (4S)-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine?
(4S)-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine has a molecular weight of 223.25 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine is sourced from PubChem (CID 67236054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).