2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylpropan-1-amine

C13H17N3O2 — CID 84632810

IUPAC2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)c1nc2cc3c(cc2[nH]1)OCCO3
InChIInChI=1S/C13H17N3O2/c1-13(2,7-14)12-15-8-5-10-11(6-9(8)16-12)18-4-3-17-10/h5-6H,3-4,7,14H2,1-2H3,(H,15,16)
InChIKeyUKUFCRFXQXYLDF-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.57
Rot. Bonds2

About 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylpropan-1-amine

2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylpropan-1-amine (PubChem CID 84632810) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylpropan-1-amine
PubChem CID84632810
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)c1nc2cc3c(cc2[nH]1)OCCO3
InChIInChI=1S/C13H17N3O2/c1-13(2,7-14)12-15-8-5-10-11(6-9(8)16-12)18-4-3-17-10/h5-6H,3-4,7,14H2,1-2H3,(H,15,16)
InChIKeyUKUFCRFXQXYLDF-UHFFFAOYSA-N
XLogP1.57
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylpropan-1-amine?
The IUPAC name of 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylpropan-1-amine (CID 84632810) is 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylpropan-1-amine is CC(C)(CN)c1nc2cc3c(cc2[nH]1)OCCO3.
What is the InChIKey of 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylpropan-1-amine?
The InChIKey is UKUFCRFXQXYLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-13(2,7-14)12-15-8-5-10-11(6-9(8)16-12)18-4-3-17-10/h5-6H,3-4,7,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylpropan-1-amine?
2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylpropan-1-amine has a molecular weight of 247.30 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 84632810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).