N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-5,6,7,8-tetrahydroquinoxalin-2-amine

C17H19N3O2 — CID 154758241

IUPACN-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-5,6,7,8-tetrahydroquinoxalin-2-amine
SMILESc1cc(CNc2cnc3c(n2)CCCC3)c2c(c1)OCCO2
InChIInChI=1S/C17H19N3O2/c1-2-6-14-13(5-1)18-11-16(20-14)19-10-12-4-3-7-15-17(12)22-9-8-21-15/h3-4,7,11H,1-2,5-6,8-10H2,(H,19,20)
InChIKeyCSVOCGINIVHLEG-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.74
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-5,6,7,8-tetrahydroquinoxalin-2-amine

N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-5,6,7,8-tetrahydroquinoxalin-2-amine (PubChem CID 154758241) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-5,6,7,8-tetrahydroquinoxalin-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-5,6,7,8-tetrahydroquinoxalin-2-amine
PubChem CID154758241
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-5,6,7,8-tetrahydroquinoxalin-2-amine
SMILESc1cc(CNc2cnc3c(n2)CCCC3)c2c(c1)OCCO2
InChIInChI=1S/C17H19N3O2/c1-2-6-14-13(5-1)18-11-16(20-14)19-10-12-4-3-7-15-17(12)22-9-8-21-15/h3-4,7,11H,1-2,5-6,8-10H2,(H,19,20)
InChIKeyCSVOCGINIVHLEG-UHFFFAOYSA-N
XLogP2.74
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-5,6,7,8-tetrahydroquinoxalin-2-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-5,6,7,8-tetrahydroquinoxalin-2-amine (CID 154758241) is N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-5,6,7,8-tetrahydroquinoxalin-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-5,6,7,8-tetrahydroquinoxalin-2-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-5,6,7,8-tetrahydroquinoxalin-2-amine is c1cc(CNc2cnc3c(n2)CCCC3)c2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-5,6,7,8-tetrahydroquinoxalin-2-amine?
The InChIKey is CSVOCGINIVHLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-2-6-14-13(5-1)18-11-16(20-14)19-10-12-4-3-7-15-17(12)22-9-8-21-15/h3-4,7,11H,1-2,5-6,8-10H2,(H,19,20).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-5,6,7,8-tetrahydroquinoxalin-2-amine?
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-5,6,7,8-tetrahydroquinoxalin-2-amine has a molecular weight of 297.36 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-5,6,7,8-tetrahydroquinoxalin-2-amine is sourced from PubChem (CID 154758241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).