6-(4-chlorophenyl)-1,1,3,3-tetramethyl-2-oxa-8-azaspiro[4.5]decane

C18H26ClNO — CID 79913284

IUPAC6-(4-chlorophenyl)-1,1,3,3-tetramethyl-2-oxa-8-azaspiro[4.5]decane
SMILESCC1(C)CC2(CCNCC2c2ccc(Cl)cc2)C(C)(C)O1
InChIInChI=1S/C18H26ClNO/c1-16(2)12-18(17(3,4)21-16)9-10-20-11-15(18)13-5-7-14(19)8-6-13/h5-8,15,20H,9-12H2,1-4H3
InChIKeyRELHSHZRXMBEHY-UHFFFAOYSA-N
MW307.86 g/mol
LogP4.38
Rot. Bonds1

About 6-(4-chlorophenyl)-1,1,3,3-tetramethyl-2-oxa-8-azaspiro[4.5]decane

6-(4-chlorophenyl)-1,1,3,3-tetramethyl-2-oxa-8-azaspiro[4.5]decane (PubChem CID 79913284) has the molecular formula C18H26ClNO and a molecular weight of 307.86 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-1,1,3,3-tetramethyl-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name6-(4-chlorophenyl)-1,1,3,3-tetramethyl-2-oxa-8-azaspiro[4.5]decane
PubChem CID79913284
Molecular FormulaC18H26ClNO
Molecular Weight307.86 g/mol
Exact Mass307.17
IUPAC Name6-(4-chlorophenyl)-1,1,3,3-tetramethyl-2-oxa-8-azaspiro[4.5]decane
SMILESCC1(C)CC2(CCNCC2c2ccc(Cl)cc2)C(C)(C)O1
InChIInChI=1S/C18H26ClNO/c1-16(2)12-18(17(3,4)21-16)9-10-20-11-15(18)13-5-7-14(19)8-6-13/h5-8,15,20H,9-12H2,1-4H3
InChIKeyRELHSHZRXMBEHY-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.86
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,5S,6S)-1-(3,4-dichlorophenyl)-6-(ethoxymethyl)-3-azabicyclo[3.1.0]hexane
CID 25025581
(1R,5R,6R)-1-(3,4-dichlorophenyl)-6-(propoxymethyl)-3-azabicyclo[3.1.0]hexane
CID 25025776
(1S,5S,6S)-1-(3,4-dichlorophenyl)-6-(propan-2-yloxymethyl)-3-azabicyclo[3.1.0]hexane
CID 25025782
(1R,5R,6R)-1-(3,4-dichlorophenyl)-6-(propan-2-yloxymethyl)-3-azabicyclo[3.1.0]hexane
CID 25025977
(1S,5S,6S)-6-(cyclobutyloxymethyl)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane
CID 25025978
(1S,5S,6S)-6-(cyclopentyloxymethyl)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane
CID 25025979
(1R,5S)-6-(butan-2-yloxymethyl)-6-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane
CID 25210872
(1S,5R)-6-(3,4-dichlorophenyl)-6-(2-ethoxyethyl)-3-azabicyclo[3.1.0]hexane
CID 25210874
(1S,5R)-6-(3,4-dichlorophenyl)-6-(2-propan-2-yloxyethyl)-3-azabicyclo[3.1.0]hexane
CID 25210876
(1R,5S,6S)-1-(3,4-dichlorophenyl)-6-(2-ethoxyethyl)-3-azabicyclo[3.1.0]hexane
CID 45378248
Exo-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexane
CID 45379828
(1S,5S,6S)-6-(cyclopropylmethoxymethyl)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane
CID 45379946

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-1,1,3,3-tetramethyl-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 6-(4-chlorophenyl)-1,1,3,3-tetramethyl-2-oxa-8-azaspiro[4.5]decane (CID 79913284) is 6-(4-chlorophenyl)-1,1,3,3-tetramethyl-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 6-(4-chlorophenyl)-1,1,3,3-tetramethyl-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 6-(4-chlorophenyl)-1,1,3,3-tetramethyl-2-oxa-8-azaspiro[4.5]decane is CC1(C)CC2(CCNCC2c2ccc(Cl)cc2)C(C)(C)O1.
What is the InChIKey of 6-(4-chlorophenyl)-1,1,3,3-tetramethyl-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is RELHSHZRXMBEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO/c1-16(2)12-18(17(3,4)21-16)9-10-20-11-15(18)13-5-7-14(19)8-6-13/h5-8,15,20H,9-12H2,1-4H3.
What are the key properties of 6-(4-chlorophenyl)-1,1,3,3-tetramethyl-2-oxa-8-azaspiro[4.5]decane?
6-(4-chlorophenyl)-1,1,3,3-tetramethyl-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 307.86 g/mol, XLogP of 4.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-1,1,3,3-tetramethyl-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 79913284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).