7-(3,4-dimethylphenoxy)-1,4-dioxaspiro[4.5]decan-8-amine

C16H23NO3 — CID 16794707

IUPAC7-(3,4-dimethylphenoxy)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCc1ccc(OC2CC3(CCC2N)OCCO3)cc1C
InChIInChI=1S/C16H23NO3/c1-11-3-4-13(9-12(11)2)20-15-10-16(6-5-14(15)17)18-7-8-19-16/h3-4,9,14-15H,5-8,10,17H2,1-2H3
InChIKeyCJVMEEOJGRYKSE-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.31
Rot. Bonds2

About 7-(3,4-dimethylphenoxy)-1,4-dioxaspiro[4.5]decan-8-amine

7-(3,4-dimethylphenoxy)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 16794707) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 7-(3,4-dimethylphenoxy)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name7-(3,4-dimethylphenoxy)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID16794707
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name7-(3,4-dimethylphenoxy)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCc1ccc(OC2CC3(CCC2N)OCCO3)cc1C
InChIInChI=1S/C16H23NO3/c1-11-3-4-13(9-12(11)2)20-15-10-16(6-5-14(15)17)18-7-8-19-16/h3-4,9,14-15H,5-8,10,17H2,1-2H3
InChIKeyCJVMEEOJGRYKSE-UHFFFAOYSA-N
XLogP2.31
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethylphenoxy)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 7-(3,4-dimethylphenoxy)-1,4-dioxaspiro[4.5]decan-8-amine (CID 16794707) is 7-(3,4-dimethylphenoxy)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 7-(3,4-dimethylphenoxy)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 7-(3,4-dimethylphenoxy)-1,4-dioxaspiro[4.5]decan-8-amine is Cc1ccc(OC2CC3(CCC2N)OCCO3)cc1C.
What is the InChIKey of 7-(3,4-dimethylphenoxy)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is CJVMEEOJGRYKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11-3-4-13(9-12(11)2)20-15-10-16(6-5-14(15)17)18-7-8-19-16/h3-4,9,14-15H,5-8,10,17H2,1-2H3.
What are the key properties of 7-(3,4-dimethylphenoxy)-1,4-dioxaspiro[4.5]decan-8-amine?
7-(3,4-dimethylphenoxy)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 277.36 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethylphenoxy)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 16794707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).