2,2,3,3-tetramethyl-1,4-benzodioxin-6-amine

C12H17NO2 — CID 117045878

IUPAC2,2,3,3-tetramethyl-1,4-benzodioxin-6-amine
SMILESCC1(C)Oc2ccc(N)cc2OC1(C)C
InChIInChI=1S/C12H17NO2/c1-11(2)12(3,4)15-10-7-8(13)5-6-9(10)14-11/h5-7H,13H2,1-4H3
InChIKeyFYSLEEWESVMIFO-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.60
Rot. Bonds

About 2,2,3,3-tetramethyl-1,4-benzodioxin-6-amine

2,2,3,3-tetramethyl-1,4-benzodioxin-6-amine (PubChem CID 117045878) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-1,4-benzodioxin-6-amine.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-1,4-benzodioxin-6-amine
PubChem CID117045878
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2,2,3,3-tetramethyl-1,4-benzodioxin-6-amine
SMILESCC1(C)Oc2ccc(N)cc2OC1(C)C
InChIInChI=1S/C12H17NO2/c1-11(2)12(3,4)15-10-7-8(13)5-6-9(10)14-11/h5-7H,13H2,1-4H3
InChIKeyFYSLEEWESVMIFO-UHFFFAOYSA-N
XLogP2.60
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-1,4-benzodioxin-6-amine?
The IUPAC name of 2,2,3,3-tetramethyl-1,4-benzodioxin-6-amine (CID 117045878) is 2,2,3,3-tetramethyl-1,4-benzodioxin-6-amine.
What is the SMILES notation for 2,2,3,3-tetramethyl-1,4-benzodioxin-6-amine?
The canonical SMILES for 2,2,3,3-tetramethyl-1,4-benzodioxin-6-amine is CC1(C)Oc2ccc(N)cc2OC1(C)C.
What is the InChIKey of 2,2,3,3-tetramethyl-1,4-benzodioxin-6-amine?
The InChIKey is FYSLEEWESVMIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-11(2)12(3,4)15-10-7-8(13)5-6-9(10)14-11/h5-7H,13H2,1-4H3.
What are the key properties of 2,2,3,3-tetramethyl-1,4-benzodioxin-6-amine?
2,2,3,3-tetramethyl-1,4-benzodioxin-6-amine has a molecular weight of 207.27 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-1,4-benzodioxin-6-amine is sourced from PubChem (CID 117045878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).