3-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2,3-diamine

C15H17N3O2 — CID 104539752

IUPAC3-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2,3-diamine
SMILESNc1ncccc1NCCc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H17N3O2/c16-15-12(2-1-6-18-15)17-7-5-11-3-4-13-14(10-11)20-9-8-19-13/h1-4,6,10,17H,5,7-9H2,(H2,16,18)
InChIKeyILLQAAMMIUIBIN-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.09
Rot. Bonds4

About 3-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2,3-diamine

3-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2,3-diamine (PubChem CID 104539752) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2,3-diamine
PubChem CID104539752
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2,3-diamine
SMILESNc1ncccc1NCCc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H17N3O2/c16-15-12(2-1-6-18-15)17-7-5-11-3-4-13-14(10-11)20-9-8-19-13/h1-4,6,10,17H,5,7-9H2,(H2,16,18)
InChIKeyILLQAAMMIUIBIN-UHFFFAOYSA-N
XLogP2.09
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-1-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzene-1,2-diamine
CID 104833960
1-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-iodobenzene-1,2-diamine
CID 66066056
3-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine
CID 104540597
6-chloro-4-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyrimidine-4,5-diamine
CID 63023407
2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)benzene-1,2-diamine
CID 115124436
4-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80771958
N'-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]methanediamine
CID 115226007
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-pyridin-4-ylethanamine
CID 60647897
2-bromo-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)pyridin-3-amine
CID 103744166
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-methylpyridin-2-amine
CID 60876054
5-bromo-4-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-3,4-diamine
CID 103517552
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-propylimidazol-2-amine
CID 106557556

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2,3-diamine?
The IUPAC name of 3-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2,3-diamine (CID 104539752) is 3-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2,3-diamine.
What is the SMILES notation for 3-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2,3-diamine?
The canonical SMILES for 3-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2,3-diamine is Nc1ncccc1NCCc1ccc2c(c1)OCCO2.
What is the InChIKey of 3-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2,3-diamine?
The InChIKey is ILLQAAMMIUIBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c16-15-12(2-1-6-18-15)17-7-5-11-3-4-13-14(10-11)20-9-8-19-13/h1-4,6,10,17H,5,7-9H2,(H2,16,18).
What are the key properties of 3-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2,3-diamine?
3-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2,3-diamine has a molecular weight of 271.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2,3-diamine is sourced from PubChem (CID 104539752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).