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

C15H20FNO2 — CID 79087688

IUPAC3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-fluoro-2-methylphenyl)methanol
SMILESCc1cc(F)ccc1C(O)C1CN2CCCC2CO1
InChIInChI=1S/C15H20FNO2/c1-10-7-11(16)4-5-13(10)15(18)14-8-17-6-2-3-12(17)9-19-14/h4-5,7,12,14-15,18H,2-3,6,8-9H2,1H3
InChIKeyIFSHVGCEANUJRO-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.03
Rot. Bonds2

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

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-fluoro-2-methylphenyl)methanol (PubChem CID 79087688) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-fluoro-2-methylphenyl)methanol.

Molecular Properties

Compound Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-fluoro-2-methylphenyl)methanol
PubChem CID79087688
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-fluoro-2-methylphenyl)methanol
SMILESCc1cc(F)ccc1C(O)C1CN2CCCC2CO1
InChIInChI=1S/C15H20FNO2/c1-10-7-11(16)4-5-13(10)15(18)14-8-17-6-2-3-12(17)9-19-14/h4-5,7,12,14-15,18H,2-3,6,8-9H2,1H3
InChIKeyIFSHVGCEANUJRO-UHFFFAOYSA-N
XLogP2.03
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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)-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-(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)-2-(2-chloro-5-fluorophenyl)ethanol
CID 102618123
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2,4,5-trimethylphenyl)methanamine
CID 79089404
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-propoxyphenyl)methanol
CID 104659643
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
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-cyclobutylphenyl)methanol
CID 116505824
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(quinolin-8-yl)methanol
CID 81210526
cyclobutyl-(4-fluoro-2-methylphenyl)methanol
CID 64987002
cyclopentyl-(4-fluoro-2-methylphenyl)methanol
CID 62789449
(4-fluoro-2-methylphenyl)-(5-methyloxolan-2-yl)methanol
CID 82838250

Frequently Asked Questions

What is the IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-fluoro-2-methylphenyl)methanol?
The IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-fluoro-2-methylphenyl)methanol (CID 79087688) is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-fluoro-2-methylphenyl)methanol.
What is the SMILES notation for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-fluoro-2-methylphenyl)methanol?
The canonical SMILES for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-fluoro-2-methylphenyl)methanol is Cc1cc(F)ccc1C(O)C1CN2CCCC2CO1.
What is the InChIKey of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-fluoro-2-methylphenyl)methanol?
The InChIKey is IFSHVGCEANUJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-10-7-11(16)4-5-13(10)15(18)14-8-17-6-2-3-12(17)9-19-14/h4-5,7,12,14-15,18H,2-3,6,8-9H2,1H3.
What are the key properties of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-fluoro-2-methylphenyl)methanol?
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-fluoro-2-methylphenyl)methanol has a molecular weight of 265.33 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-fluoro-2-methylphenyl)methanol is sourced from PubChem (CID 79087688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).