2-[5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanamine

C16H16ClNO2 — CID 69258568

IUPAC2-[5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanamine
SMILESNCCC1COc2cccc(-c3ccccc3Cl)c2O1
InChIInChI=1S/C16H16ClNO2/c17-14-6-2-1-4-12(14)13-5-3-7-15-16(13)20-11(8-9-18)10-19-15/h1-7,11H,8-10,18H2
InChIKeyUCLLCIHTNLUHSY-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.50
Rot. Bonds3

About 2-[5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanamine

2-[5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanamine (PubChem CID 69258568) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 2-[5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanamine
PubChem CID69258568
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name2-[5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanamine
SMILESNCCC1COc2cccc(-c3ccccc3Cl)c2O1
InChIInChI=1S/C16H16ClNO2/c17-14-6-2-1-4-12(14)13-5-3-7-15-16(13)20-11(8-9-18)10-19-15/h1-7,11H,8-10,18H2
InChIKeyUCLLCIHTNLUHSY-UHFFFAOYSA-N
XLogP3.50
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanamine?
The IUPAC name of 2-[5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanamine (CID 69258568) is 2-[5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanamine?
The canonical SMILES for 2-[5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanamine is NCCC1COc2cccc(-c3ccccc3Cl)c2O1.
What is the InChIKey of 2-[5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanamine?
The InChIKey is UCLLCIHTNLUHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c17-14-6-2-1-4-12(14)13-5-3-7-15-16(13)20-11(8-9-18)10-19-15/h1-7,11H,8-10,18H2.
What are the key properties of 2-[5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanamine?
2-[5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanamine has a molecular weight of 289.76 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanamine is sourced from PubChem (CID 69258568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).