8-(2-methoxy-5-methylphenyl)-7-oxa-10-azaspiro[4.6]undecane

C17H25NO2 — CID 115362003

IUPAC8-(2-methoxy-5-methylphenyl)-7-oxa-10-azaspiro[4.6]undecane
SMILESCOc1ccc(C)cc1C1CNCC2(CCCC2)CO1
InChIInChI=1S/C17H25NO2/c1-13-5-6-15(19-2)14(9-13)16-10-18-11-17(12-20-16)7-3-4-8-17/h5-6,9,16,18H,3-4,7-8,10-12H2,1-2H3
InChIKeyDSJIEIUYJXPHNC-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.22
Rot. Bonds2

About 8-(2-methoxy-5-methylphenyl)-7-oxa-10-azaspiro[4.6]undecane

8-(2-methoxy-5-methylphenyl)-7-oxa-10-azaspiro[4.6]undecane (PubChem CID 115362003) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 8-(2-methoxy-5-methylphenyl)-7-oxa-10-azaspiro[4.6]undecane.

Molecular Properties

Compound Name8-(2-methoxy-5-methylphenyl)-7-oxa-10-azaspiro[4.6]undecane
PubChem CID115362003
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name8-(2-methoxy-5-methylphenyl)-7-oxa-10-azaspiro[4.6]undecane
SMILESCOc1ccc(C)cc1C1CNCC2(CCCC2)CO1
InChIInChI=1S/C17H25NO2/c1-13-5-6-15(19-2)14(9-13)16-10-18-11-17(12-20-16)7-3-4-8-17/h5-6,9,16,18H,3-4,7-8,10-12H2,1-2H3
InChIKeyDSJIEIUYJXPHNC-UHFFFAOYSA-N
XLogP3.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-(2-methoxy-5-methylphenyl)-7-oxa-10-azaspiro[4.6]undecane 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

3-(2-methoxy-5-methylphenyl)-4-oxa-1-azaspiro[5.5]undecane
CID 62520363
9-(2-methylphenyl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968950
9-(2,4,6-trimethylphenyl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968892
8-[2-(difluoromethoxy)phenyl]-7-oxa-10-azaspiro[4.6]undecane
CID 115362032
8-(3-methylthiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane
CID 113294388
8-(4-tert-butylphenyl)-7-oxa-10-azaspiro[4.6]undecane
CID 115361978
8-(3-bromophenyl)-7-oxa-10-azaspiro[4.6]undecane
CID 115361972
2-(2-methoxy-4-methylphenyl)morpholine
CID 82611084
9-(3,4-dichlorophenyl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968917
8-(1-benzothiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane
CID 114910393
5-(2-methoxy-5-methylphenyl)-3,3-dimethylmorpholine
CID 82291209
8-[4-(trifluoromethyl)phenyl]-7-oxa-10-azaspiro[4.6]undecane
CID 115361991

Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxy-5-methylphenyl)-7-oxa-10-azaspiro[4.6]undecane?
The IUPAC name of 8-(2-methoxy-5-methylphenyl)-7-oxa-10-azaspiro[4.6]undecane (CID 115362003) is 8-(2-methoxy-5-methylphenyl)-7-oxa-10-azaspiro[4.6]undecane.
What is the SMILES notation for 8-(2-methoxy-5-methylphenyl)-7-oxa-10-azaspiro[4.6]undecane?
The canonical SMILES for 8-(2-methoxy-5-methylphenyl)-7-oxa-10-azaspiro[4.6]undecane is COc1ccc(C)cc1C1CNCC2(CCCC2)CO1.
What is the InChIKey of 8-(2-methoxy-5-methylphenyl)-7-oxa-10-azaspiro[4.6]undecane?
The InChIKey is DSJIEIUYJXPHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13-5-6-15(19-2)14(9-13)16-10-18-11-17(12-20-16)7-3-4-8-17/h5-6,9,16,18H,3-4,7-8,10-12H2,1-2H3.
What are the key properties of 8-(2-methoxy-5-methylphenyl)-7-oxa-10-azaspiro[4.6]undecane?
8-(2-methoxy-5-methylphenyl)-7-oxa-10-azaspiro[4.6]undecane has a molecular weight of 275.39 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxy-5-methylphenyl)-7-oxa-10-azaspiro[4.6]undecane is sourced from PubChem (CID 115362003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).