9-(2-methylphenyl)-8-oxa-11-azaspiro[5.6]dodecane

C17H25NO — CID 103968950

IUPAC9-(2-methylphenyl)-8-oxa-11-azaspiro[5.6]dodecane
SMILESCc1ccccc1C1CNCC2(CCCCC2)CO1
InChIInChI=1S/C17H25NO/c1-14-7-3-4-8-15(14)16-11-18-12-17(13-19-16)9-5-2-6-10-17/h3-4,7-8,16,18H,2,5-6,9-13H2,1H3
InChIKeyVNHCTGIKYZWPBO-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.61
Rot. Bonds1

About 9-(2-methylphenyl)-8-oxa-11-azaspiro[5.6]dodecane

9-(2-methylphenyl)-8-oxa-11-azaspiro[5.6]dodecane (PubChem CID 103968950) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 9-(2-methylphenyl)-8-oxa-11-azaspiro[5.6]dodecane.

Molecular Properties

Compound Name9-(2-methylphenyl)-8-oxa-11-azaspiro[5.6]dodecane
PubChem CID103968950
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name9-(2-methylphenyl)-8-oxa-11-azaspiro[5.6]dodecane
SMILESCc1ccccc1C1CNCC2(CCCCC2)CO1
InChIInChI=1S/C17H25NO/c1-14-7-3-4-8-15(14)16-11-18-12-17(13-19-16)9-5-2-6-10-17/h3-4,7-8,16,18H,2,5-6,9-13H2,1H3
InChIKeyVNHCTGIKYZWPBO-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-(2-methoxy-5-methylphenyl)-7-oxa-10-azaspiro[4.6]undecane
CID 115362003
8-(4-tert-butylphenyl)-7-oxa-10-azaspiro[4.6]undecane
CID 115361978
2-(2-methylphenyl)-1,4-oxazepane
CID 43498424
8-(3-bromophenyl)-7-oxa-10-azaspiro[4.6]undecane
CID 115361972
9-(5-bromothiophen-2-yl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968939
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-methyl-2-(2-methylphenyl)-5-phenylmorpholine
CID 105058730
8-[4-(trifluoromethyl)phenyl]-7-oxa-10-azaspiro[4.6]undecane
CID 115361991

Frequently Asked Questions

What is the IUPAC name of 9-(2-methylphenyl)-8-oxa-11-azaspiro[5.6]dodecane?
The IUPAC name of 9-(2-methylphenyl)-8-oxa-11-azaspiro[5.6]dodecane (CID 103968950) is 9-(2-methylphenyl)-8-oxa-11-azaspiro[5.6]dodecane.
What is the SMILES notation for 9-(2-methylphenyl)-8-oxa-11-azaspiro[5.6]dodecane?
The canonical SMILES for 9-(2-methylphenyl)-8-oxa-11-azaspiro[5.6]dodecane is Cc1ccccc1C1CNCC2(CCCCC2)CO1.
What is the InChIKey of 9-(2-methylphenyl)-8-oxa-11-azaspiro[5.6]dodecane?
The InChIKey is VNHCTGIKYZWPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-14-7-3-4-8-15(14)16-11-18-12-17(13-19-16)9-5-2-6-10-17/h3-4,7-8,16,18H,2,5-6,9-13H2,1H3.
What are the key properties of 9-(2-methylphenyl)-8-oxa-11-azaspiro[5.6]dodecane?
9-(2-methylphenyl)-8-oxa-11-azaspiro[5.6]dodecane has a molecular weight of 259.39 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methylphenyl)-8-oxa-11-azaspiro[5.6]dodecane is sourced from PubChem (CID 103968950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).