[3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanamine

C13H17FN2O — CID 66392437

IUPAC[3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanamine
SMILESNCc1ccc(N2CC3CCC(C2)O3)c(F)c1
InChIInChI=1S/C13H17FN2O/c14-12-5-9(6-15)1-4-13(12)16-7-10-2-3-11(8-16)17-10/h1,4-5,10-11H,2-3,6-8,15H2
InChIKeyDCSMIZFKZTWJDT-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.65
Rot. Bonds2

About [3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanamine

[3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanamine (PubChem CID 66392437) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is [3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanamine
PubChem CID66392437
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name[3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanamine
SMILESNCc1ccc(N2CC3CCC(C2)O3)c(F)c1
InChIInChI=1S/C13H17FN2O/c14-12-5-9(6-15)1-4-13(12)16-7-10-2-3-11(8-16)17-10/h1,4-5,10-11H,2-3,6-8,15H2
InChIKeyDCSMIZFKZTWJDT-UHFFFAOYSA-N
XLogP1.65
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(chloromethyl)-2-fluorophenyl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 66393290
[4-(3,5-dimethylpiperidin-1-yl)-3-fluorophenyl]methanamine
CID 43122266
[3-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine
CID 103530728
3-fluoro-N'-hydroxy-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzenecarboximidamide
CID 77135914
1-[3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]ethanone
CID 66393471
[3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]methanamine
CID 114236471
3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzenecarboximidamide
CID 66391530
[3-fluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanamine
CID 102955941
[2-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine
CID 107878528
3-[4-(chloromethyl)-2,6-difluorophenyl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 66393291
2-[4-(3,4-dimethoxypyrrolidin-1-yl)-3-fluorophenyl]ethanamine
CID 103540653
[5-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanol
CID 66393104

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanamine?
The IUPAC name of [3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanamine (CID 66392437) is [3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanamine?
The canonical SMILES for [3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanamine is NCc1ccc(N2CC3CCC(C2)O3)c(F)c1.
What is the InChIKey of [3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanamine?
The InChIKey is DCSMIZFKZTWJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c14-12-5-9(6-15)1-4-13(12)16-7-10-2-3-11(8-16)17-10/h1,4-5,10-11H,2-3,6-8,15H2.
What are the key properties of [3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanamine?
[3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanamine has a molecular weight of 236.29 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanamine is sourced from PubChem (CID 66392437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).