[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(4-fluorophenyl)methanol

C14H18FNO2 — CID 79135105

IUPAC[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(4-fluorophenyl)methanol
SMILESNCC1(C(O)c2ccc(F)cc2)CC2CCC1O2
InChIInChI=1S/C14H18FNO2/c15-10-3-1-9(2-4-10)13(17)14(8-16)7-11-5-6-12(14)18-11/h1-4,11-13,17H,5-8,16H2
InChIKeyMFBBATQLBIGURR-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.76
Rot. Bonds3

About [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(4-fluorophenyl)methanol

[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(4-fluorophenyl)methanol (PubChem CID 79135105) 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]-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(4-fluorophenyl)methanol
PubChem CID79135105
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(4-fluorophenyl)methanol
SMILESNCC1(C(O)c2ccc(F)cc2)CC2CCC1O2
InChIInChI=1S/C14H18FNO2/c15-10-3-1-9(2-4-10)13(17)14(8-16)7-11-5-6-12(14)18-11/h1-4,11-13,17H,5-8,16H2
InChIKeyMFBBATQLBIGURR-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

Analyze [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(4-fluorophenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(4-fluorophenyl)methanol?
The IUPAC name of [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(4-fluorophenyl)methanol (CID 79135105) is [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(4-fluorophenyl)methanol.
What is the SMILES notation for [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(4-fluorophenyl)methanol?
The canonical SMILES for [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(4-fluorophenyl)methanol is NCC1(C(O)c2ccc(F)cc2)CC2CCC1O2.
What is the InChIKey of [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(4-fluorophenyl)methanol?
The InChIKey is MFBBATQLBIGURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-10-3-1-9(2-4-10)13(17)14(8-16)7-11-5-6-12(14)18-11/h1-4,11-13,17H,5-8,16H2.
What are the key properties of [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(4-fluorophenyl)methanol?
[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(4-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]-(4-fluorophenyl)methanol is sourced from PubChem (CID 79135105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).