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

C11H14FN3O — CID 57495977

IUPAC5-(3-aminophenyl)-6-fluoro-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
SMILESCC1(c2cccc(N)c2)N=C(N)COC1F
InChIInChI=1S/C11H14FN3O/c1-11(7-3-2-4-8(13)5-7)10(12)16-6-9(14)15-11/h2-5,10H,6,13H2,1H3,(H2,14,15)
InChIKeyMVLCPUIJFLJKNV-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.17
Rot. Bonds1

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

5-(3-aminophenyl)-6-fluoro-5-methyl-2,6-dihydro-1,4-oxazin-3-amine (PubChem CID 57495977) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is 5-(3-aminophenyl)-6-fluoro-5-methyl-2,6-dihydro-1,4-oxazin-3-amine.

Molecular Properties

Compound Name5-(3-aminophenyl)-6-fluoro-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
PubChem CID57495977
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name5-(3-aminophenyl)-6-fluoro-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
SMILESCC1(c2cccc(N)c2)N=C(N)COC1F
InChIInChI=1S/C11H14FN3O/c1-11(7-3-2-4-8(13)5-7)10(12)16-6-9(14)15-11/h2-5,10H,6,13H2,1H3,(H2,14,15)
InChIKeyMVLCPUIJFLJKNV-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
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

(5R)-5-[2-fluoro-5-(2,2,2-trifluoroethylamino)phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
CID 57519960
(5R)-5-[2-fluoro-5-(3-methylbutylamino)phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
CID 57520044
(5R)-5-[5-(2,2-difluoroethylamino)-2-fluorophenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
CID 57520048
(R)-5-(5-Butylamino-2-fluoro-phenyl)-5-methyl-5,6-dihydro-2H-[1,4]oxazin-3-ylamine
CID 57520129
(5R)-5-[5-(cyclopentylamino)-2-fluorophenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
CID 57520131
(5R)-5-[5-(cyclobutylamino)-2-fluorophenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
CID 57520133
(5R)-5-[5-(cyclopropylmethylamino)-2-fluorophenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
CID 68108170
5-Methyl-5-phenyl-2,6-dihydro-1,4-oxazin-3-amine
CID 115018218
(5R)-5-[2-fluoro-5-(3-methylbutan-2-ylamino)phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
CID 57519958
(5R)-5-[2-fluoro-5-(3,3,3-trifluoropropylamino)phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
CID 57520043
(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

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminophenyl)-6-fluoro-5-methyl-2,6-dihydro-1,4-oxazin-3-amine?
The IUPAC name of 5-(3-aminophenyl)-6-fluoro-5-methyl-2,6-dihydro-1,4-oxazin-3-amine (CID 57495977) is 5-(3-aminophenyl)-6-fluoro-5-methyl-2,6-dihydro-1,4-oxazin-3-amine.
What is the SMILES notation for 5-(3-aminophenyl)-6-fluoro-5-methyl-2,6-dihydro-1,4-oxazin-3-amine?
The canonical SMILES for 5-(3-aminophenyl)-6-fluoro-5-methyl-2,6-dihydro-1,4-oxazin-3-amine is CC1(c2cccc(N)c2)N=C(N)COC1F.
What is the InChIKey of 5-(3-aminophenyl)-6-fluoro-5-methyl-2,6-dihydro-1,4-oxazin-3-amine?
The InChIKey is MVLCPUIJFLJKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c1-11(7-3-2-4-8(13)5-7)10(12)16-6-9(14)15-11/h2-5,10H,6,13H2,1H3,(H2,14,15).
What are the key properties of 5-(3-aminophenyl)-6-fluoro-5-methyl-2,6-dihydro-1,4-oxazin-3-amine?
5-(3-aminophenyl)-6-fluoro-5-methyl-2,6-dihydro-1,4-oxazin-3-amine has a molecular weight of 223.25 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminophenyl)-6-fluoro-5-methyl-2,6-dihydro-1,4-oxazin-3-amine is sourced from PubChem (CID 57495977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).