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

C15H21NO — CID 142088748

IUPAC8-(2-methylphenyl)-1-oxa-8-azaspiro[4.5]decane
SMILESCc1ccccc1N1CCC2(CCCO2)CC1
InChIInChI=1S/C15H21NO/c1-13-5-2-3-6-14(13)16-10-8-15(9-11-16)7-4-12-17-15/h2-3,5-6H,4,7-12H2,1H3
InChIKeyBWCSTLPLFNTKGH-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.14
Rot. Bonds1

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

8-(2-methylphenyl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 142088748) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 8-(2-methylphenyl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2-methylphenyl)-1-oxa-8-azaspiro[4.5]decane
PubChem CID142088748
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name8-(2-methylphenyl)-1-oxa-8-azaspiro[4.5]decane
SMILESCc1ccccc1N1CCC2(CCCO2)CC1
InChIInChI=1S/C15H21NO/c1-13-5-2-3-6-14(13)16-10-8-15(9-11-16)7-4-12-17-15/h2-3,5-6H,4,7-12H2,1H3
InChIKeyBWCSTLPLFNTKGH-UHFFFAOYSA-N
XLogP3.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylphenyl)azetidine;hydrochloride
CID 176582976
4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-ol
CID 82286374
[4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-yl]methanamine
CID 117007839
8-[2-methyl-6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane
CID 167743997
benzene;2,3-dihydro-1H-indene;8-methyl-1-oxa-8-azaspiro[4.5]decane
CID 142283435
(2-methyloxan-2-yl)-[4-(2-methylphenyl)-1,4-diazepan-1-yl]methanone
CID 70713244
4-hydroxy-1-(2-methylphenyl)azepane-4-carboxylic acid
CID 115055686
1-(2-methylphenyl)-4-(oxetan-3-yl)piperazine
CID 138525322
1,3-bis(2-methylphenyl)imidazolidine;ethane
CID 145329565
9-[(4-methylnaphthalen-1-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 56873072
[3-fluoro-1-(2-methylphenyl)pyrrolidin-3-yl]methanamine
CID 115025944
(6-methyl-2-pyridinyl)-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 56880944

Frequently Asked Questions

What is the IUPAC name of 8-(2-methylphenyl)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(2-methylphenyl)-1-oxa-8-azaspiro[4.5]decane (CID 142088748) is 8-(2-methylphenyl)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(2-methylphenyl)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(2-methylphenyl)-1-oxa-8-azaspiro[4.5]decane is Cc1ccccc1N1CCC2(CCCO2)CC1.
What is the InChIKey of 8-(2-methylphenyl)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is BWCSTLPLFNTKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-13-5-2-3-6-14(13)16-10-8-15(9-11-16)7-4-12-17-15/h2-3,5-6H,4,7-12H2,1H3.
What are the key properties of 8-(2-methylphenyl)-1-oxa-8-azaspiro[4.5]decane?
8-(2-methylphenyl)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 231.34 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylphenyl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 142088748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).