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

C13H19NO2 — CID 13718

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylethanamine
SMILESCCN(CC)CC1COc2ccccc2O1
InChIInChI=1S/C13H19NO2/c1-3-14(4-2)9-11-10-15-12-7-5-6-8-13(12)16-11/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyBGWGNDUTMDMIKZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.17
Rot. Bonds4

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

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylethanamine (PubChem CID 13718) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylethanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylethanamine
PubChem CID13718
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylethanamine
SMILESCCN(CC)CC1COc2ccccc2O1
InChIInChI=1S/C13H19NO2/c1-3-14(4-2)9-11-10-15-12-7-5-6-8-13(12)16-11/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyBGWGNDUTMDMIKZ-UHFFFAOYSA-N
XLogP2.17
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.17
H-Bond Donors ≤ 50
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)-N-ethylethanamine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylethanamine (CID 13718) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylethanamine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylethanamine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylethanamine is CCN(CC)CC1COc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylethanamine?
The InChIKey is BGWGNDUTMDMIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-14(4-2)9-11-10-15-12-7-5-6-8-13(12)16-11/h5-8,11H,3-4,9-10H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylethanamine?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylethanamine has a molecular weight of 221.30 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 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)-N-ethylethanamine is sourced from PubChem (CID 13718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).