1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-(3-fluorophenyl)ethanol

C15H20FNO2 — CID 79127842

IUPAC1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-(3-fluorophenyl)ethanol
SMILESCC(O)(c1cccc(F)c1)C1(CN)CC2CCC1O2
InChIInChI=1S/C15H20FNO2/c1-14(18,10-3-2-4-11(16)7-10)15(9-17)8-12-5-6-13(15)19-12/h2-4,7,12-13,18H,5-6,8-9,17H2,1H3
InChIKeyKDFYBJIMZRZTDO-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.93
Rot. Bonds3

About 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-(3-fluorophenyl)ethanol

1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-(3-fluorophenyl)ethanol (PubChem CID 79127842) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-(3-fluorophenyl)ethanol
PubChem CID79127842
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-(3-fluorophenyl)ethanol
SMILESCC(O)(c1cccc(F)c1)C1(CN)CC2CCC1O2
InChIInChI=1S/C15H20FNO2/c1-14(18,10-3-2-4-11(16)7-10)15(9-17)8-12-5-6-13(15)19-12/h2-4,7,12-13,18H,5-6,8-9,17H2,1H3
InChIKeyKDFYBJIMZRZTDO-UHFFFAOYSA-N
XLogP1.93
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-(3-fluorophenyl)ethanol?
The IUPAC name of 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-(3-fluorophenyl)ethanol (CID 79127842) is 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-(3-fluorophenyl)ethanol.
What is the SMILES notation for 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-(3-fluorophenyl)ethanol?
The canonical SMILES for 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-(3-fluorophenyl)ethanol is CC(O)(c1cccc(F)c1)C1(CN)CC2CCC1O2.
What is the InChIKey of 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-(3-fluorophenyl)ethanol?
The InChIKey is KDFYBJIMZRZTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-14(18,10-3-2-4-11(16)7-10)15(9-17)8-12-5-6-13(15)19-12/h2-4,7,12-13,18H,5-6,8-9,17H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-(3-fluorophenyl)ethanol?
1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-(3-fluorophenyl)ethanol has a molecular weight of 265.33 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-(3-fluorophenyl)ethanol is sourced from PubChem (CID 79127842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).