N'-(2,3-dihydro-1,4-benzodioxin-5-yl)ethane-1,2-diamine

C10H14N2O2 — CID 53433622

IUPACN'-(2,3-dihydro-1,4-benzodioxin-5-yl)ethane-1,2-diamine
SMILESNCCNc1cccc2c1OCCO2
InChIInChI=1S/C10H14N2O2/c11-4-5-12-8-2-1-3-9-10(8)14-7-6-13-9/h1-3,12H,4-7,11H2
InChIKeyTZRQOXZKDKNGEJ-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.83
Rot. Bonds3

About N'-(2,3-dihydro-1,4-benzodioxin-5-yl)ethane-1,2-diamine

N'-(2,3-dihydro-1,4-benzodioxin-5-yl)ethane-1,2-diamine (PubChem CID 53433622) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is N'-(2,3-dihydro-1,4-benzodioxin-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,3-dihydro-1,4-benzodioxin-5-yl)ethane-1,2-diamine
PubChem CID53433622
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC NameN'-(2,3-dihydro-1,4-benzodioxin-5-yl)ethane-1,2-diamine
SMILESNCCNc1cccc2c1OCCO2
InChIInChI=1S/C10H14N2O2/c11-4-5-12-8-2-1-3-9-10(8)14-7-6-13-9/h1-3,12H,4-7,11H2
InChIKeyTZRQOXZKDKNGEJ-UHFFFAOYSA-N
XLogP0.83
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1,4-benzodioxin-5-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2,3-dihydro-1,4-benzodioxin-5-yl)ethane-1,2-diamine (CID 53433622) is N'-(2,3-dihydro-1,4-benzodioxin-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,3-dihydro-1,4-benzodioxin-5-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,3-dihydro-1,4-benzodioxin-5-yl)ethane-1,2-diamine is NCCNc1cccc2c1OCCO2.
What is the InChIKey of N'-(2,3-dihydro-1,4-benzodioxin-5-yl)ethane-1,2-diamine?
The InChIKey is TZRQOXZKDKNGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c11-4-5-12-8-2-1-3-9-10(8)14-7-6-13-9/h1-3,12H,4-7,11H2.
What are the key properties of N'-(2,3-dihydro-1,4-benzodioxin-5-yl)ethane-1,2-diamine?
N'-(2,3-dihydro-1,4-benzodioxin-5-yl)ethane-1,2-diamine has a molecular weight of 194.23 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydro-1,4-benzodioxin-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 53433622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).