[2-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine

C14H19FN2O — CID 107878528

IUPAC[2-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine
SMILESNCc1cc(CN2CC3CCC(C2)O3)ccc1F
InChIInChI=1S/C14H19FN2O/c15-14-4-1-10(5-11(14)6-16)7-17-8-12-2-3-13(9-17)18-12/h1,4-5,12-13H,2-3,6-9,16H2
InChIKeyPDGPRQFUAICVFQ-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.65
Rot. Bonds3

About [2-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine

[2-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine (PubChem CID 107878528) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is [2-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine
PubChem CID107878528
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name[2-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine
SMILESNCc1cc(CN2CC3CCC(C2)O3)ccc1F
InChIInChI=1S/C14H19FN2O/c15-14-4-1-10(5-11(14)6-16)7-17-8-12-2-3-13(9-17)18-12/h1,4-5,12-13H,2-3,6-9,16H2
InChIKeyPDGPRQFUAICVFQ-UHFFFAOYSA-N
XLogP1.65
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]-N-methylmethanamine
CID 107455267
[4-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine
CID 66393414
[2-fluoro-5-(thiomorpholin-4-ylmethyl)phenyl]methanamine
CID 107878107
[5-[(4-ethylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine
CID 107878208
[2-fluoro-5-[(3-phenylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 107878368
[2-fluoro-5-[(4-propylpiperidin-1-yl)methyl]phenyl]methanamine
CID 107878369
2,6-difluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenol
CID 82983030
2-bromo-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)aniline
CID 115557236
[3-(aminomethyl)-4-fluorophenyl]methanamine
CID 62072221
[3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-ylmethyl)phenyl]methanamine
CID 84786236
2-[[3-(aminomethyl)-4-fluorophenyl]methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 107878578
[3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanamine
CID 66392437

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine?
The IUPAC name of [2-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine (CID 107878528) is [2-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine.
What is the SMILES notation for [2-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine?
The canonical SMILES for [2-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine is NCc1cc(CN2CC3CCC(C2)O3)ccc1F.
What is the InChIKey of [2-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine?
The InChIKey is PDGPRQFUAICVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c15-14-4-1-10(5-11(14)6-16)7-17-8-12-2-3-13(9-17)18-12/h1,4-5,12-13H,2-3,6-9,16H2.
What are the key properties of [2-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine?
[2-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine has a molecular weight of 250.32 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 107878528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).