3-(3-methoxyphenyl)-6-oxa-3-azabicyclo[3.1.1]heptane

C12H15NO2 — CID 84778504

IUPAC3-(3-methoxyphenyl)-6-oxa-3-azabicyclo[3.1.1]heptane
SMILESCOc1cccc(N2CC3CC(C2)O3)c1
InChIInChI=1S/C12H15NO2/c1-14-10-4-2-3-9(5-10)13-7-11-6-12(8-13)15-11/h2-5,11-12H,6-8H2,1H3
InChIKeyFEPYGDSORCMABN-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.67
Rot. Bonds2

About 3-(3-methoxyphenyl)-6-oxa-3-azabicyclo[3.1.1]heptane

3-(3-methoxyphenyl)-6-oxa-3-azabicyclo[3.1.1]heptane (PubChem CID 84778504) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-6-oxa-3-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-6-oxa-3-azabicyclo[3.1.1]heptane
PubChem CID84778504
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name3-(3-methoxyphenyl)-6-oxa-3-azabicyclo[3.1.1]heptane
SMILESCOc1cccc(N2CC3CC(C2)O3)c1
InChIInChI=1S/C12H15NO2/c1-14-10-4-2-3-9(5-10)13-7-11-6-12(8-13)15-11/h2-5,11-12H,6-8H2,1H3
InChIKeyFEPYGDSORCMABN-UHFFFAOYSA-N
XLogP1.67
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]methanamine
CID 84777953
1-(3-methoxyphenyl)azepane
CID 57276431
N-ethyl-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine
CID 83990440
1-iodo-4-(3-methoxyphenyl)piperazine
CID 142256394
N-(cyclopropylmethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine
CID 83996532
(5R)-5-(aminomethyl)-3-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 42281783
(3S)-1-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 28875723
1-(3-methoxyphenyl)piperidin-3-amine;dihydrochloride
CID 168974066
1-(3-methoxyphenyl)-4-(oxiran-2-ylmethyl)piperazine
CID 10243741
bis(1-(3-methoxyphenyl)piperazine);dihydrochloride
CID 70182951
N-(2,2-difluoroethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine
CID 83993074
4-(3-methoxyphenyl)piperazine-2,6-dione
CID 63788375

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-6-oxa-3-azabicyclo[3.1.1]heptane?
The IUPAC name of 3-(3-methoxyphenyl)-6-oxa-3-azabicyclo[3.1.1]heptane (CID 84778504) is 3-(3-methoxyphenyl)-6-oxa-3-azabicyclo[3.1.1]heptane.
What is the SMILES notation for 3-(3-methoxyphenyl)-6-oxa-3-azabicyclo[3.1.1]heptane?
The canonical SMILES for 3-(3-methoxyphenyl)-6-oxa-3-azabicyclo[3.1.1]heptane is COc1cccc(N2CC3CC(C2)O3)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-6-oxa-3-azabicyclo[3.1.1]heptane?
The InChIKey is FEPYGDSORCMABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-14-10-4-2-3-9(5-10)13-7-11-6-12(8-13)15-11/h2-5,11-12H,6-8H2,1H3.
What are the key properties of 3-(3-methoxyphenyl)-6-oxa-3-azabicyclo[3.1.1]heptane?
3-(3-methoxyphenyl)-6-oxa-3-azabicyclo[3.1.1]heptane has a molecular weight of 205.26 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-6-oxa-3-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 84778504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).