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

C14H19FN2O — CID 66393414

IUPAC[4-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine
SMILESNCc1ccc(F)cc1CN1CC2CCC(C1)O2
InChIInChI=1S/C14H19FN2O/c15-12-2-1-10(6-16)11(5-12)7-17-8-13-3-4-14(9-17)18-13/h1-2,5,13-14H,3-4,6-9,16H2
InChIKeyGFPNDMKFIWPOSG-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.65
Rot. Bonds3

About [4-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine

[4-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine (PubChem CID 66393414) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is [4-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine
PubChem CID66393414
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name[4-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine
SMILESNCc1ccc(F)cc1CN1CC2CCC(C1)O2
InChIInChI=1S/C14H19FN2O/c15-12-2-1-10(6-16)11(5-12)7-17-8-13-3-4-14(9-17)18-13/h1-2,5,13-14H,3-4,6-9,16H2
InChIKeyGFPNDMKFIWPOSG-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

Analyze [4-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine with MolForge

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Related Compounds

3-[(2-bromo-4-fluorophenyl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 66371349
5-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzoic acid
CID 66369866
[2-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine
CID 107878528
[4-fluoro-2-(piperidin-1-ylmethyl)phenyl]methanamine
CID 64768327
[4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenyl]methanamine
CID 64768324
[4-fluoro-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 64768136
[4-fluoro-2-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine
CID 64769681
[2-(1,3-dihydroisoindol-2-ylmethyl)-4-fluorophenyl]methanamine
CID 64769111
[4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776455
3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzoic acid
CID 66372220
[5-fluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]methanamine
CID 103494258
[4-fluoro-2-[(4-propan-2-ylazepan-1-yl)methyl]phenyl]methanamine
CID 64763360

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine?
The IUPAC name of [4-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine (CID 66393414) is [4-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine.
What is the SMILES notation for [4-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine?
The canonical SMILES for [4-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine is NCc1ccc(F)cc1CN1CC2CCC(C1)O2.
What is the InChIKey of [4-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine?
The InChIKey is GFPNDMKFIWPOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c15-12-2-1-10(6-16)11(5-12)7-17-8-13-3-4-14(9-17)18-13/h1-2,5,13-14H,3-4,6-9,16H2.
What are the key properties of [4-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine?
[4-fluoro-2-(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 [4-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 66393414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).