N-[[3-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-1-amine

C16H23FN2O — CID 106532892

IUPACN-[[3-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(F)cc(N2CC3CCC(C2)O3)c1
InChIInChI=1S/C16H23FN2O/c1-2-5-18-9-12-6-13(17)8-14(7-12)19-10-15-3-4-16(11-19)20-15/h6-8,15-16,18H,2-5,9-11H2,1H3
InChIKeyXQOFQLXAMSHMJH-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.69
Rot. Bonds5

About N-[[3-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-1-amine

N-[[3-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-1-amine (PubChem CID 106532892) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is N-[[3-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-1-amine
PubChem CID106532892
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC NameN-[[3-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(F)cc(N2CC3CCC(C2)O3)c1
InChIInChI=1S/C16H23FN2O/c1-2-5-18-9-12-6-13(17)8-14(7-12)19-10-15-3-4-16(11-19)20-15/h6-8,15-16,18H,2-5,9-11H2,1H3
InChIKeyXQOFQLXAMSHMJH-UHFFFAOYSA-N
XLogP2.69
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(2,6-dimethylmorpholin-4-yl)-5-fluorophenyl]methyl]propan-1-amine
CID 106532067
N-[[3-(2-ethylmorpholin-4-yl)-5-fluorophenyl]methyl]propan-1-amine
CID 106532257
N-[[3-fluoro-5-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-1-amine
CID 106532578
N-[[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methyl]propan-1-amine
CID 66370234
N-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]methyl]propan-1-amine
CID 106532857
5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyridin-3-amine
CID 113424132
N-[[1-(3,5-difluorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 55081336
N-[[3-fluoro-5-(3-methoxypiperidin-1-yl)phenyl]methyl]ethanamine
CID 106533080
N-[[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 66370018
N-[(3-bromo-5-fluorophenyl)methyl]propan-1-amine
CID 43248382
1-[3,5-difluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]-N-methylmethanamine
CID 66371529
N-[[3-fluoro-5-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 106533076

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-1-amine (CID 106532892) is N-[[3-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-1-amine is CCCNCc1cc(F)cc(N2CC3CCC(C2)O3)c1.
What is the InChIKey of N-[[3-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-1-amine?
The InChIKey is XQOFQLXAMSHMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-2-5-18-9-12-6-13(17)8-14(7-12)19-10-15-3-4-16(11-19)20-15/h6-8,15-16,18H,2-5,9-11H2,1H3.
What are the key properties of N-[[3-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-1-amine?
N-[[3-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-1-amine has a molecular weight of 278.37 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 106532892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).