[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-chloro-6-fluorophenyl)methanol

C14H17ClFNO2 — CID 79135369

IUPAC[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-chloro-6-fluorophenyl)methanol
SMILESNCC1(C(O)c2c(F)cccc2Cl)CC2CCC1O2
InChIInChI=1S/C14H17ClFNO2/c15-9-2-1-3-10(16)12(9)13(18)14(7-17)6-8-4-5-11(14)19-8/h1-3,8,11,13,18H,4-7,17H2
InChIKeyFNCPNYVDUYPQTB-UHFFFAOYSA-N
MW285.75 g/mol
LogP2.41
Rot. Bonds3

About [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-chloro-6-fluorophenyl)methanol

[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-chloro-6-fluorophenyl)methanol (PubChem CID 79135369) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-chloro-6-fluorophenyl)methanol.

Molecular Properties

Compound Name[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-chloro-6-fluorophenyl)methanol
PubChem CID79135369
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC Name[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-chloro-6-fluorophenyl)methanol
SMILESNCC1(C(O)c2c(F)cccc2Cl)CC2CCC1O2
InChIInChI=1S/C14H17ClFNO2/c15-9-2-1-3-10(16)12(9)13(18)14(7-17)6-8-4-5-11(14)19-8/h1-3,8,11,13,18H,4-7,17H2
InChIKeyFNCPNYVDUYPQTB-UHFFFAOYSA-N
XLogP2.41
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.41
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-chloro-6-fluorophenyl)methanol?
The IUPAC name of [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-chloro-6-fluorophenyl)methanol (CID 79135369) is [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-chloro-6-fluorophenyl)methanol.
What is the SMILES notation for [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-chloro-6-fluorophenyl)methanol?
The canonical SMILES for [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-chloro-6-fluorophenyl)methanol is NCC1(C(O)c2c(F)cccc2Cl)CC2CCC1O2.
What is the InChIKey of [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-chloro-6-fluorophenyl)methanol?
The InChIKey is FNCPNYVDUYPQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c15-9-2-1-3-10(16)12(9)13(18)14(7-17)6-8-4-5-11(14)19-8/h1-3,8,11,13,18H,4-7,17H2.
What are the key properties of [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-chloro-6-fluorophenyl)methanol?
[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-chloro-6-fluorophenyl)methanol has a molecular weight of 285.75 g/mol, XLogP of 2.41, 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-chloro-6-fluorophenyl)methanol is sourced from PubChem (CID 79135369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).