1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-(2,4-difluorophenyl)-N-methylmethanamine

C15H20F2N2O — CID 79088954

IUPAC1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-(2,4-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cc1F)C1CN2CCCC2CO1
InChIInChI=1S/C15H20F2N2O/c1-18-15(12-5-4-10(16)7-13(12)17)14-8-19-6-2-3-11(19)9-20-14/h4-5,7,11,14-15,18H,2-3,6,8-9H2,1H3
InChIKeyAUIQFEHXSVSXGR-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.09
Rot. Bonds3

About 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-(2,4-difluorophenyl)-N-methylmethanamine

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-(2,4-difluorophenyl)-N-methylmethanamine (PubChem CID 79088954) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-(2,4-difluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-(2,4-difluorophenyl)-N-methylmethanamine
PubChem CID79088954
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-(2,4-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cc1F)C1CN2CCCC2CO1
InChIInChI=1S/C15H20F2N2O/c1-18-15(12-5-4-10(16)7-13(12)17)14-8-19-6-2-3-11(19)9-20-14/h4-5,7,11,14-15,18H,2-3,6,8-9H2,1H3
InChIKeyAUIQFEHXSVSXGR-UHFFFAOYSA-N
XLogP2.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-(2,4-difluorophenyl)-N-methylmethanamine with MolForge

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Related Compounds

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 79089606
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 79088499
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-fluoro-2-methylphenyl)methanol
CID 79087688
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 79089425
[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105245086
N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 104738494
1-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 55120045
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
CID 113370615
N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 79095864
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2,3,4-trifluorophenyl)methanamine
CID 79088216
N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2,4-dimethylphenyl)methyl]ethanamine
CID 79095857
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2-chloro-5-fluorophenyl)ethanol
CID 102618123

Frequently Asked Questions

What is the IUPAC name of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-(2,4-difluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-(2,4-difluorophenyl)-N-methylmethanamine (CID 79088954) is 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-(2,4-difluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-(2,4-difluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-(2,4-difluorophenyl)-N-methylmethanamine is CNC(c1ccc(F)cc1F)C1CN2CCCC2CO1.
What is the InChIKey of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-(2,4-difluorophenyl)-N-methylmethanamine?
The InChIKey is AUIQFEHXSVSXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-18-15(12-5-4-10(16)7-13(12)17)14-8-19-6-2-3-11(19)9-20-14/h4-5,7,11,14-15,18H,2-3,6,8-9H2,1H3.
What are the key properties of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-(2,4-difluorophenyl)-N-methylmethanamine?
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-(2,4-difluorophenyl)-N-methylmethanamine has a molecular weight of 282.33 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-(2,4-difluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 79088954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).