(1S)-1-[4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]ethanamine

C12H13FN2O — CID 163490539

IUPAC(1S)-1-[4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]ethanamine
SMILESC[C@H](N)C1=NC(c2cccc(F)c2)=CCO1
InChIInChI=1S/C12H13FN2O/c1-8(14)12-15-11(5-6-16-12)9-3-2-4-10(13)7-9/h2-5,7-8H,6,14H2,1H3/t8-/m0/s1
InChIKeyCMFZFHRZKPNQJH-QMMMGPOBSA-N
MW220.25 g/mol
LogP1.94
Rot. Bonds2

About (1S)-1-[4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]ethanamine

(1S)-1-[4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]ethanamine (PubChem CID 163490539) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is (1S)-1-[4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]ethanamine
PubChem CID163490539
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name(1S)-1-[4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]ethanamine
SMILESC[C@H](N)C1=NC(c2cccc(F)c2)=CCO1
InChIInChI=1S/C12H13FN2O/c1-8(14)12-15-11(5-6-16-12)9-3-2-4-10(13)7-9/h2-5,7-8H,6,14H2,1H3/t8-/m0/s1
InChIKeyCMFZFHRZKPNQJH-QMMMGPOBSA-N
XLogP1.94
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-1-[4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]ethanamine 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 (1S)-1-[4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]ethanamine?
The IUPAC name of (1S)-1-[4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]ethanamine (CID 163490539) is (1S)-1-[4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]ethanamine.
What is the SMILES notation for (1S)-1-[4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]ethanamine?
The canonical SMILES for (1S)-1-[4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]ethanamine is C[C@H](N)C1=NC(c2cccc(F)c2)=CCO1.
What is the InChIKey of (1S)-1-[4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]ethanamine?
The InChIKey is CMFZFHRZKPNQJH-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-8(14)12-15-11(5-6-16-12)9-3-2-4-10(13)7-9/h2-5,7-8H,6,14H2,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-[4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]ethanamine?
(1S)-1-[4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]ethanamine has a molecular weight of 220.25 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]ethanamine is sourced from PubChem (CID 163490539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).