N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-4-pyridin-3-yloxyaniline

C18H20N2O2 — CID 167770940

IUPACN-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-4-pyridin-3-yloxyaniline
SMILESc1cncc(Oc2ccc(NCC3CC4CCC3O4)cc2)c1
InChIInChI=1S/C18H20N2O2/c1-2-17(12-19-9-1)21-15-5-3-14(4-6-15)20-11-13-10-16-7-8-18(13)22-16/h1-6,9,12-13,16,18,20H,7-8,10-11H2
InChIKeySHTZLPLCUATGKZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.85
Rot. Bonds5

About N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-4-pyridin-3-yloxyaniline

N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-4-pyridin-3-yloxyaniline (PubChem CID 167770940) 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-3-yloxyaniline.

Molecular Properties

Compound NameN-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-4-pyridin-3-yloxyaniline
PubChem CID167770940
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-4-pyridin-3-yloxyaniline
SMILESc1cncc(Oc2ccc(NCC3CC4CCC3O4)cc2)c1
InChIInChI=1S/C18H20N2O2/c1-2-17(12-19-9-1)21-15-5-3-14(4-6-15)20-11-13-10-16-7-8-18(13)22-16/h1-6,9,12-13,16,18,20H,7-8,10-11H2
InChIKeySHTZLPLCUATGKZ-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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Related Compounds

3-[(2S)-2-amino-3,3-diphenylpropoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 10287639
cis-2-(5-(Benzyloxy)pyridin-3-yl)octahydropyrrolo[3,4-c]pyrrole
CID 44190225
3-[(2S)-2-amino-3-phenylpropoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 20744808
(2S)-1-(benzyloxy)-3-({5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}oxy)propan-2-amine
CID 10309109
7-(5-Phenylmethoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 71458997
(2S)-2-[(S)-(5-methyl-2-propan-2-ylphenoxy)-pyridin-2-ylmethyl]morpholine
CID 44579374
5-[(2S)-2-amino-3-phenylpropoxy]-N-(pyridin-3-yl)pyridin-3-amine
CID 23646954
3-[(2S)-2-amino-4-phenylbutoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 23646970
cis-4-(3-methoxyphenyl)-N-(2-(pyridin-2-yloxy)ethyl)cyclohexanamine
CID 10892762
[4-(3-Methoxy-phenyl)-butyl]-[2-(pyridin-2-yloxy)-ethyl]-amine
CID 10935482
1-benzyl-N-[4-(3-pyridinyloxy)phenyl]-4-piperidinecarboxamide
CID 24793833
5-((R)-Pyrrolidin-3-yloxy)-[3,4'']bipyridinyl
CID 44266566

Frequently Asked Questions

What is the IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-4-pyridin-3-yloxyaniline?
The IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-4-pyridin-3-yloxyaniline (CID 167770940) is N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-4-pyridin-3-yloxyaniline.
What is the SMILES notation for N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-4-pyridin-3-yloxyaniline?
The canonical SMILES for N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-4-pyridin-3-yloxyaniline is c1cncc(Oc2ccc(NCC3CC4CCC3O4)cc2)c1.
What is the InChIKey of N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-4-pyridin-3-yloxyaniline?
The InChIKey is SHTZLPLCUATGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-2-17(12-19-9-1)21-15-5-3-14(4-6-15)20-11-13-10-16-7-8-18(13)22-16/h1-6,9,12-13,16,18,20H,7-8,10-11H2.
What are the key properties of N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-4-pyridin-3-yloxyaniline?
N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-4-pyridin-3-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-3-yloxyaniline is sourced from PubChem (CID 167770940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).