[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-fluorophenyl)methanol

C14H18FNO2 — CID 79138877

IUPAC[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-fluorophenyl)methanol
SMILESNCC1(C(O)c2ccccc2F)CC2CCC1O2
InChIInChI=1S/C14H18FNO2/c15-11-4-2-1-3-10(11)13(17)14(8-16)7-9-5-6-12(14)18-9/h1-4,9,12-13,17H,5-8,16H2
InChIKeyIVWPPVFZVCGZKZ-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.76
Rot. Bonds3

About [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-fluorophenyl)methanol

[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-fluorophenyl)methanol (PubChem CID 79138877) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-fluorophenyl)methanol.

Molecular Properties

Compound Name[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-fluorophenyl)methanol
PubChem CID79138877
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-fluorophenyl)methanol
SMILESNCC1(C(O)c2ccccc2F)CC2CCC1O2
InChIInChI=1S/C14H18FNO2/c15-11-4-2-1-3-10(11)13(17)14(8-16)7-9-5-6-12(14)18-9/h1-4,9,12-13,17H,5-8,16H2
InChIKeyIVWPPVFZVCGZKZ-UHFFFAOYSA-N
XLogP1.76
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-fluorophenyl)methanol?
The IUPAC name of [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-fluorophenyl)methanol (CID 79138877) is [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-fluorophenyl)methanol.
What is the SMILES notation for [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-fluorophenyl)methanol?
The canonical SMILES for [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-fluorophenyl)methanol is NCC1(C(O)c2ccccc2F)CC2CCC1O2.
What is the InChIKey of [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-fluorophenyl)methanol?
The InChIKey is IVWPPVFZVCGZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-11-4-2-1-3-10(11)13(17)14(8-16)7-9-5-6-12(14)18-9/h1-4,9,12-13,17H,5-8,16H2.
What are the key properties of [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-fluorophenyl)methanol?
[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-fluorophenyl)methanol has a molecular weight of 251.30 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-fluorophenyl)methanol is sourced from PubChem (CID 79138877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).