3-methoxy-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane

C17H25NO2 — CID 118743849

IUPAC3-methoxy-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
SMILESCOC1COC2(CCN(Cc3ccccc3C)CC2)C1
InChIInChI=1S/C17H25NO2/c1-14-5-3-4-6-15(14)12-18-9-7-17(8-10-18)11-16(19-2)13-20-17/h3-6,16H,7-13H2,1-2H3
InChIKeySWLACDBJMBICLK-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.76
Rot. Bonds3

About 3-methoxy-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane

3-methoxy-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane (PubChem CID 118743849) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-methoxy-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-methoxy-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
PubChem CID118743849
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-methoxy-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
SMILESCOC1COC2(CCN(Cc3ccccc3C)CC2)C1
InChIInChI=1S/C17H25NO2/c1-14-5-3-4-6-15(14)12-18-9-7-17(8-10-18)11-16(19-2)13-20-17/h3-6,16H,7-13H2,1-2H3
InChIKeySWLACDBJMBICLK-UHFFFAOYSA-N
XLogP2.76
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Ethoxy-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 118742391
3-[(3-Ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]benzonitrile
CID 118742393
8-[(3,4-Dimethylphenyl)methyl]-3-ethoxy-1-oxa-8-azaspiro[4.5]decane
CID 118742396
3-Ethoxy-8-[(4-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 118742398
8-[(4-Chlorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 118743836
8-[(3-Chlorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 118743839
3-[(3-Methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]benzonitrile
CID 118743843
8-[(2-Fluorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 118743845
3-Ethoxy-8-[(3-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 118743998
8-[(2-Chlorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 118744287
9-Benzyl-4-(oxolan-2-yl)-1-oxa-9-azaspiro[5.5]undecane
CID 178295436
4-(Oxolan-3-yloxy)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine
CID 71863110

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-methoxy-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane (CID 118743849) is 3-methoxy-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-methoxy-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-methoxy-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane is COC1COC2(CCN(Cc3ccccc3C)CC2)C1.
What is the InChIKey of 3-methoxy-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is SWLACDBJMBICLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-14-5-3-4-6-15(14)12-18-9-7-17(8-10-18)11-16(19-2)13-20-17/h3-6,16H,7-13H2,1-2H3.
What are the key properties of 3-methoxy-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane?
3-methoxy-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 275.39 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 118743849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).