N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine

C11H15NO2 — CID 30614

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine
SMILESCCNCC1COc2ccccc2O1
InChIInChI=1S/C11H15NO2/c1-2-12-7-9-8-13-10-5-3-4-6-11(10)14-9/h3-6,9,12H,2,7-8H2,1H3
InChIKeyYJPHXPWNPFQMGC-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.44
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine (PubChem CID 30614) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine
PubChem CID30614
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine
SMILESCCNCC1COc2ccccc2O1
InChIInChI=1S/C11H15NO2/c1-2-12-7-9-8-13-10-5-3-4-6-11(10)14-9/h3-6,9,12H,2,7-8H2,1H3
InChIKeyYJPHXPWNPFQMGC-UHFFFAOYSA-N
XLogP1.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine (CID 30614) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine is CCNCC1COc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine?
The InChIKey is YJPHXPWNPFQMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-12-7-9-8-13-10-5-3-4-6-11(10)14-9/h3-6,9,12H,2,7-8H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine has a molecular weight of 193.25 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine is sourced from PubChem (CID 30614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).