2-phenyl-5,8-dioxaspiro[3.4]octan-2-amine

C12H15NO2 — CID 126480378

IUPAC2-phenyl-5,8-dioxaspiro[3.4]octan-2-amine
SMILESNC1(c2ccccc2)CC2(C1)OCCO2
InChIInChI=1S/C12H15NO2/c13-11(10-4-2-1-3-5-10)8-12(9-11)14-6-7-15-12/h1-5H,6-9,13H2
InChIKeyAPDAYKLROGCAND-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.38
Rot. Bonds1

About 2-phenyl-5,8-dioxaspiro[3.4]octan-2-amine

2-phenyl-5,8-dioxaspiro[3.4]octan-2-amine (PubChem CID 126480378) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-phenyl-5,8-dioxaspiro[3.4]octan-2-amine.

Molecular Properties

Compound Name2-phenyl-5,8-dioxaspiro[3.4]octan-2-amine
PubChem CID126480378
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-phenyl-5,8-dioxaspiro[3.4]octan-2-amine
SMILESNC1(c2ccccc2)CC2(C1)OCCO2
InChIInChI=1S/C12H15NO2/c13-11(10-4-2-1-3-5-10)8-12(9-11)14-6-7-15-12/h1-5H,6-9,13H2
InChIKeyAPDAYKLROGCAND-UHFFFAOYSA-N
XLogP1.38
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5,8-dioxaspiro[3.4]octan-2-amine?
The IUPAC name of 2-phenyl-5,8-dioxaspiro[3.4]octan-2-amine (CID 126480378) is 2-phenyl-5,8-dioxaspiro[3.4]octan-2-amine.
What is the SMILES notation for 2-phenyl-5,8-dioxaspiro[3.4]octan-2-amine?
The canonical SMILES for 2-phenyl-5,8-dioxaspiro[3.4]octan-2-amine is NC1(c2ccccc2)CC2(C1)OCCO2.
What is the InChIKey of 2-phenyl-5,8-dioxaspiro[3.4]octan-2-amine?
The InChIKey is APDAYKLROGCAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c13-11(10-4-2-1-3-5-10)8-12(9-11)14-6-7-15-12/h1-5H,6-9,13H2.
What are the key properties of 2-phenyl-5,8-dioxaspiro[3.4]octan-2-amine?
2-phenyl-5,8-dioxaspiro[3.4]octan-2-amine has a molecular weight of 205.26 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5,8-dioxaspiro[3.4]octan-2-amine is sourced from PubChem (CID 126480378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).