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

C11H11FN2O — CID 155718667

IUPAC[4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]methanamine
SMILESNCC1=NC(c2cccc(F)c2)=CCO1
InChIInChI=1S/C11H11FN2O/c12-9-3-1-2-8(6-9)10-4-5-15-11(7-13)14-10/h1-4,6H,5,7,13H2
InChIKeySQYZOESKDBOSJW-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.55
Rot. Bonds2

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

[4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]methanamine (PubChem CID 155718667) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is [4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]methanamine
PubChem CID155718667
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name[4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]methanamine
SMILESNCC1=NC(c2cccc(F)c2)=CCO1
InChIInChI=1S/C11H11FN2O/c12-9-3-1-2-8(6-9)10-4-5-15-11(7-13)14-10/h1-4,6H,5,7,13H2
InChIKeySQYZOESKDBOSJW-UHFFFAOYSA-N
XLogP1.55
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-amino-4-[(2-fluorophenyl)methylimino]pent-2-enoate
CID 148257826
[4-(3-fluorophenyl)-5-methylidene-4H-1,3-oxazin-2-yl]methanamine
CID 155280876
methyl 2-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]ethanimidate
CID 155718624
methyl 2-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]propanimidate
CID 156843898
(1S)-1-[4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]ethanamine
CID 163490539
(Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoro-N-(1-phenylethyl)prop-1-en-2-amine
CID 10850598
(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethenamine
CID 15421797
(Z)-1-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethenamine
CID 101241172
(Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoro-N-[(1R)-1-phenylethyl]prop-1-en-2-amine
CID 102061812
(Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoro-N-[(1S)-1-phenylethyl]prop-1-en-2-amine
CID 102061813
methyl (E)-2-amino-N-[1-(2-fluorophenyl)ethenyl]-3-methyl-5-propyloct-2-enimidate
CID 143824001
methyl 2-amino-N-[(3-fluorophenyl)methyl]propanimidate
CID 156843951

Frequently Asked Questions

What is the IUPAC name of [4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]methanamine?
The IUPAC name of [4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]methanamine (CID 155718667) is [4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]methanamine.
What is the SMILES notation for [4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]methanamine?
The canonical SMILES for [4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]methanamine is NCC1=NC(c2cccc(F)c2)=CCO1.
What is the InChIKey of [4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]methanamine?
The InChIKey is SQYZOESKDBOSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c12-9-3-1-2-8(6-9)10-4-5-15-11(7-13)14-10/h1-4,6H,5,7,13H2.
What are the key properties of [4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]methanamine?
[4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]methanamine has a molecular weight of 206.22 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]methanamine is sourced from PubChem (CID 155718667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).