N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-fluoro-3-methylphenyl)methyl]ethanamine

C17H25FN2O — CID 79095864

IUPACN-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-fluoro-3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(C)c1)C1CN2CCCC2CO1
InChIInChI=1S/C17H25FN2O/c1-3-19-17(13-6-7-15(18)12(2)9-13)16-10-20-8-4-5-14(20)11-21-16/h6-7,9,14,16-17,19H,3-5,8,10-11H2,1-2H3
InChIKeyOOMFOFUFKQEXBB-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.65
Rot. Bonds4

About N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-fluoro-3-methylphenyl)methyl]ethanamine

N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-fluoro-3-methylphenyl)methyl]ethanamine (PubChem CID 79095864) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-fluoro-3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-fluoro-3-methylphenyl)methyl]ethanamine
PubChem CID79095864
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC NameN-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-fluoro-3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(C)c1)C1CN2CCCC2CO1
InChIInChI=1S/C17H25FN2O/c1-3-19-17(13-6-7-15(18)12(2)9-13)16-10-20-8-4-5-14(20)11-21-16/h6-7,9,14,16-17,19H,3-5,8,10-11H2,1-2H3
InChIKeyOOMFOFUFKQEXBB-UHFFFAOYSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-methoxyphenyl)methyl]ethanamine
CID 79096029
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
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
N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 79088876
N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-bromothiophen-3-yl)methyl]ethanamine
CID 79602155
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
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
N-[(4-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 65331655
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
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-(2,6-difluoro-3-methylphenyl)methanol
CID 82822204
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(4-chloro-2-fluorophenyl)ethyl]hydrazine
CID 105245088

Frequently Asked Questions

What is the IUPAC name of N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-fluoro-3-methylphenyl)methyl]ethanamine?
The IUPAC name of 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) is N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-fluoro-3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-fluoro-3-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-fluoro-3-methylphenyl)methyl]ethanamine is CCNC(c1ccc(F)c(C)c1)C1CN2CCCC2CO1.
What is the InChIKey of N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-fluoro-3-methylphenyl)methyl]ethanamine?
The InChIKey is OOMFOFUFKQEXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-3-19-17(13-6-7-15(18)12(2)9-13)16-10-20-8-4-5-14(20)11-21-16/h6-7,9,14,16-17,19H,3-5,8,10-11H2,1-2H3.
What are the key properties of N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-fluoro-3-methylphenyl)methyl]ethanamine?
N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-fluoro-3-methylphenyl)methyl]ethanamine has a molecular weight of 292.40 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-fluoro-3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 79095864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).