2-[2-(4-chlorophenoxy)-2-methylpropyl]-2,7-diazaspiro[4.4]nonane

C17H25ClN2O — CID 82038740

IUPAC2-[2-(4-chlorophenoxy)-2-methylpropyl]-2,7-diazaspiro[4.4]nonane
SMILESCC(C)(CN1CCC2(CCNC2)C1)Oc1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2O/c1-16(2,21-15-5-3-14(18)4-6-15)12-20-10-8-17(13-20)7-9-19-11-17/h3-6,19H,7-13H2,1-2H3
InChIKeyUNVMZJIRRRWFTA-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.18
Rot. Bonds4

About 2-[2-(4-chlorophenoxy)-2-methylpropyl]-2,7-diazaspiro[4.4]nonane

2-[2-(4-chlorophenoxy)-2-methylpropyl]-2,7-diazaspiro[4.4]nonane (PubChem CID 82038740) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 2-[2-(4-chlorophenoxy)-2-methylpropyl]-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name2-[2-(4-chlorophenoxy)-2-methylpropyl]-2,7-diazaspiro[4.4]nonane
PubChem CID82038740
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name2-[2-(4-chlorophenoxy)-2-methylpropyl]-2,7-diazaspiro[4.4]nonane
SMILESCC(C)(CN1CCC2(CCNC2)C1)Oc1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2O/c1-16(2,21-15-5-3-14(18)4-6-15)12-20-10-8-17(13-20)7-9-19-11-17/h3-6,19H,7-13H2,1-2H3
InChIKeyUNVMZJIRRRWFTA-UHFFFAOYSA-N
XLogP3.18
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenoxy)-2-methylpropyl]-2,7-diazaspiro[4.4]nonane?
The IUPAC name of 2-[2-(4-chlorophenoxy)-2-methylpropyl]-2,7-diazaspiro[4.4]nonane (CID 82038740) is 2-[2-(4-chlorophenoxy)-2-methylpropyl]-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 2-[2-(4-chlorophenoxy)-2-methylpropyl]-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for 2-[2-(4-chlorophenoxy)-2-methylpropyl]-2,7-diazaspiro[4.4]nonane is CC(C)(CN1CCC2(CCNC2)C1)Oc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenoxy)-2-methylpropyl]-2,7-diazaspiro[4.4]nonane?
The InChIKey is UNVMZJIRRRWFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-16(2,21-15-5-3-14(18)4-6-15)12-20-10-8-17(13-20)7-9-19-11-17/h3-6,19H,7-13H2,1-2H3.
What are the key properties of 2-[2-(4-chlorophenoxy)-2-methylpropyl]-2,7-diazaspiro[4.4]nonane?
2-[2-(4-chlorophenoxy)-2-methylpropyl]-2,7-diazaspiro[4.4]nonane has a molecular weight of 308.85 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenoxy)-2-methylpropyl]-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 82038740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).