3-[(3-methoxyphenyl)methyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonane

C14H20N2O2 — CID 67380464

IUPAC3-[(3-methoxyphenyl)methyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonane
SMILESCOc1cccc(CN2CC3CNCC(C2)O3)c1
InChIInChI=1S/C14H20N2O2/c1-17-12-4-2-3-11(5-12)8-16-9-13-6-15-7-14(10-16)18-13/h2-5,13-15H,6-10H2,1H3
InChIKeyBNVVMFNVVDGXOR-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.87
Rot. Bonds3

About 3-[(3-methoxyphenyl)methyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonane

3-[(3-methoxyphenyl)methyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonane (PubChem CID 67380464) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonane
PubChem CID67380464
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-[(3-methoxyphenyl)methyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonane
SMILESCOc1cccc(CN2CC3CNCC(C2)O3)c1
InChIInChI=1S/C14H20N2O2/c1-17-12-4-2-3-11(5-12)8-16-9-13-6-15-7-14(10-16)18-13/h2-5,13-15H,6-10H2,1H3
InChIKeyBNVVMFNVVDGXOR-UHFFFAOYSA-N
XLogP0.87
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(3-methoxyphenyl)methyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonane with MolForge

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

Launch Full Analysis

Related Compounds

1-[(3-methoxyphenyl)methyl]-3,5-dimethylpiperazine
CID 63863142
2-benzyl-5-[(3-methoxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 155875929
[4-[(3-methoxyphenyl)methyl]-6-methylmorpholin-2-yl]methanamine
CID 102938955
1-[(3-methoxyphenyl)methyl]-3-methyl-1,5-diazocane
CID 54980333
(1S,2R,6S,7R)-10-[(3-methoxyphenyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane
CID 121495039
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 63365148
2-(chloromethyl)-4-[(3-methoxyphenyl)methyl]morpholine
CID 81213549
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 24904638
(3aR,6aS)-5-[(3-propan-2-yloxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120660913
5-[(3,5-dimethoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66211187
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonane?
The IUPAC name of 3-[(3-methoxyphenyl)methyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonane (CID 67380464) is 3-[(3-methoxyphenyl)methyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for 3-[(3-methoxyphenyl)methyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonane?
The canonical SMILES for 3-[(3-methoxyphenyl)methyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonane is COc1cccc(CN2CC3CNCC(C2)O3)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonane?
The InChIKey is BNVVMFNVVDGXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-17-12-4-2-3-11(5-12)8-16-9-13-6-15-7-14(10-16)18-13/h2-5,13-15H,6-10H2,1H3.
What are the key properties of 3-[(3-methoxyphenyl)methyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonane?
3-[(3-methoxyphenyl)methyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonane has a molecular weight of 248.33 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 67380464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).