2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]ethanamine

C15H16N2O2 — CID 117001756

IUPAC2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]ethanamine
SMILESNCCc1ccnc(-c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C15H16N2O2/c16-5-3-11-4-6-17-13(9-11)12-1-2-14-15(10-12)19-8-7-18-14/h1-2,4,6,9-10H,3,5,7-8,16H2
InChIKeyGKJVISZTFZLCCM-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.02
Rot. Bonds3

About 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]ethanamine

2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]ethanamine (PubChem CID 117001756) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]ethanamine
PubChem CID117001756
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]ethanamine
SMILESNCCc1ccnc(-c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C15H16N2O2/c16-5-3-11-4-6-17-13(9-11)12-1-2-14-15(10-12)19-8-7-18-14/h1-2,4,6,9-10H,3,5,7-8,16H2
InChIKeyGKJVISZTFZLCCM-UHFFFAOYSA-N
XLogP2.02
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazol-2-yl]ethanamine
CID 82295111
2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]ethanamine
CID 82302700
2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-2-yl]ethanamine
CID 95474302
3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide
CID 175580971
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrimidine
CID 116903863
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazol-4-yl]ethanamine
CID 82483994
6-(2-fluoroethyl)-2,3-dihydro-1,4-benzodioxine
CID 175038395
2-(1,3-benzodioxol-5-yl)-4-methylpyridine
CID 175812188
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole
CID 147188821
N'-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]methanediamine
CID 115226007
[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-pyridinyl]methanamine
CID 115478681
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-pyridin-4-ylethanamine
CID 60647897

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]ethanamine?
The IUPAC name of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]ethanamine (CID 117001756) is 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]ethanamine.
What is the SMILES notation for 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]ethanamine?
The canonical SMILES for 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]ethanamine is NCCc1ccnc(-c2ccc3c(c2)OCCO3)c1.
What is the InChIKey of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]ethanamine?
The InChIKey is GKJVISZTFZLCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c16-5-3-11-4-6-17-13(9-11)12-1-2-14-15(10-12)19-8-7-18-14/h1-2,4,6,9-10H,3,5,7-8,16H2.
What are the key properties of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]ethanamine?
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]ethanamine has a molecular weight of 256.30 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]ethanamine is sourced from PubChem (CID 117001756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).