3-(2-fluorophenyl)-6-methyl-3,6-diazabicyclo[3.1.1]heptane

C12H15FN2 — CID 84779141

IUPAC3-(2-fluorophenyl)-6-methyl-3,6-diazabicyclo[3.1.1]heptane
SMILESCN1C2CC1CN(c1ccccc1F)C2
InChIInChI=1S/C12H15FN2/c1-14-9-6-10(14)8-15(7-9)12-5-3-2-4-11(12)13/h2-5,9-10H,6-8H2,1H3
InChIKeyGAQSSUMPUCMKSU-UHFFFAOYSA-N
MW206.26 g/mol
LogP1.72
Rot. Bonds1

About 3-(2-fluorophenyl)-6-methyl-3,6-diazabicyclo[3.1.1]heptane

3-(2-fluorophenyl)-6-methyl-3,6-diazabicyclo[3.1.1]heptane (PubChem CID 84779141) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-6-methyl-3,6-diazabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name3-(2-fluorophenyl)-6-methyl-3,6-diazabicyclo[3.1.1]heptane
PubChem CID84779141
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name3-(2-fluorophenyl)-6-methyl-3,6-diazabicyclo[3.1.1]heptane
SMILESCN1C2CC1CN(c1ccccc1F)C2
InChIInChI=1S/C12H15FN2/c1-14-9-6-10(14)8-15(7-9)12-5-3-2-4-11(12)13/h2-5,9-10H,6-8H2,1H3
InChIKeyGAQSSUMPUCMKSU-UHFFFAOYSA-N
XLogP1.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)aniline
CID 84777504
3-(2-fluoro-4-nitrophenyl)-6-methyl-3,6-diazabicyclo[3.1.1]heptane
CID 176615798
5-(2-fluorophenyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;oxalic acid
CID 155345777
3-(2,6-difluoro-4-methylphenyl)-6-methyl-3,6-diazabicyclo[3.1.1]heptane
CID 170049501
5-ethyl-1-(2-fluorophenyl)-N-(2-methylpropyl)piperidin-3-amine
CID 83994488
1-(2-fluorophenyl)-4-(3-methylcyclopentyl)piperazine
CID 2845312
1-(2-fluorophenyl)-4-[(1R,3R)-3-methylcyclopentyl]piperazine
CID 26458018
1-(2-fluorophenyl)-4-methoxypiperidine
CID 15403847
1-(2-fluorophenyl)-3-methylazetidin-3-ol
CID 173302434
2-[[1-(2-fluorophenyl)pyrrolidin-3-yl]-methylamino]ethanol
CID 117004505
1-(2-fluorophenyl)-4,4-dimethylpiperidin-3-ol
CID 117025105
2-[(1R,5S)-8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]benzamide
CID 176898478

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-6-methyl-3,6-diazabicyclo[3.1.1]heptane?
The IUPAC name of 3-(2-fluorophenyl)-6-methyl-3,6-diazabicyclo[3.1.1]heptane (CID 84779141) is 3-(2-fluorophenyl)-6-methyl-3,6-diazabicyclo[3.1.1]heptane.
What is the SMILES notation for 3-(2-fluorophenyl)-6-methyl-3,6-diazabicyclo[3.1.1]heptane?
The canonical SMILES for 3-(2-fluorophenyl)-6-methyl-3,6-diazabicyclo[3.1.1]heptane is CN1C2CC1CN(c1ccccc1F)C2.
What is the InChIKey of 3-(2-fluorophenyl)-6-methyl-3,6-diazabicyclo[3.1.1]heptane?
The InChIKey is GAQSSUMPUCMKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2/c1-14-9-6-10(14)8-15(7-9)12-5-3-2-4-11(12)13/h2-5,9-10H,6-8H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-6-methyl-3,6-diazabicyclo[3.1.1]heptane?
3-(2-fluorophenyl)-6-methyl-3,6-diazabicyclo[3.1.1]heptane has a molecular weight of 206.26 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-6-methyl-3,6-diazabicyclo[3.1.1]heptane is sourced from PubChem (CID 84779141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).