N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-4-pyridin-2-yloxyaniline

C18H20N2O2 — CID 167759806

IUPACN-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-4-pyridin-2-yloxyaniline
SMILESc1ccc(Oc2ccc(NCC3CC4CCC3O4)cc2)nc1
InChIInChI=1S/C18H20N2O2/c1-2-10-19-18(3-1)22-15-6-4-14(5-7-15)20-12-13-11-16-8-9-17(13)21-16/h1-7,10,13,16-17,20H,8-9,11-12H2
InChIKeyNBRWZOHZOVWAEB-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.85
Rot. Bonds5

About N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-4-pyridin-2-yloxyaniline

N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-4-pyridin-2-yloxyaniline (PubChem CID 167759806) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-4-pyridin-2-yloxyaniline.

Molecular Properties

Compound NameN-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-4-pyridin-2-yloxyaniline
PubChem CID167759806
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-4-pyridin-2-yloxyaniline
SMILESc1ccc(Oc2ccc(NCC3CC4CCC3O4)cc2)nc1
InChIInChI=1S/C18H20N2O2/c1-2-10-19-18(3-1)22-15-6-4-14(5-7-15)20-12-13-11-16-8-9-17(13)21-16/h1-7,10,13,16-17,20H,8-9,11-12H2
InChIKeyNBRWZOHZOVWAEB-UHFFFAOYSA-N
XLogP3.85
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-4-pyridin-2-yloxyaniline?
The IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-4-pyridin-2-yloxyaniline (CID 167759806) is N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-4-pyridin-2-yloxyaniline.
What is the SMILES notation for N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-4-pyridin-2-yloxyaniline?
The canonical SMILES for N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-4-pyridin-2-yloxyaniline is c1ccc(Oc2ccc(NCC3CC4CCC3O4)cc2)nc1.
What is the InChIKey of N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-4-pyridin-2-yloxyaniline?
The InChIKey is NBRWZOHZOVWAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-2-10-19-18(3-1)22-15-6-4-14(5-7-15)20-12-13-11-16-8-9-17(13)21-16/h1-7,10,13,16-17,20H,8-9,11-12H2.
What are the key properties of N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-4-pyridin-2-yloxyaniline?
N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-4-pyridin-2-yloxyaniline has a molecular weight of 296.37 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-4-pyridin-2-yloxyaniline is sourced from PubChem (CID 167759806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).