2-[[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]oxymethyl]-N,3-dimethylaniline

C21H20N2O3 — CID 144738989

IUPAC2-[[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]oxymethyl]-N,3-dimethylaniline
SMILESCNc1cccc(C)c1COc1cccc(-c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C21H20N2O3/c1-14-5-3-7-18(22-2)16(14)12-24-21-8-4-6-17(23-21)15-9-10-19-20(11-15)26-13-25-19/h3-11,22H,12-13H2,1-2H3
InChIKeyNPXZGLMFFPNZRO-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.41
Rot. Bonds5

About 2-[[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]oxymethyl]-N,3-dimethylaniline

2-[[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]oxymethyl]-N,3-dimethylaniline (PubChem CID 144738989) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-[[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]oxymethyl]-N,3-dimethylaniline.

Molecular Properties

Compound Name2-[[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]oxymethyl]-N,3-dimethylaniline
PubChem CID144738989
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name2-[[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]oxymethyl]-N,3-dimethylaniline
SMILESCNc1cccc(C)c1COc1cccc(-c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C21H20N2O3/c1-14-5-3-7-18(22-2)16(14)12-24-21-8-4-6-17(23-21)15-9-10-19-20(11-15)26-13-25-19/h3-11,22H,12-13H2,1-2H3
InChIKeyNPXZGLMFFPNZRO-UHFFFAOYSA-N
XLogP4.41
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]oxymethyl]-N,3-dimethylaniline?
The IUPAC name of 2-[[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]oxymethyl]-N,3-dimethylaniline (CID 144738989) is 2-[[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]oxymethyl]-N,3-dimethylaniline.
What is the SMILES notation for 2-[[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]oxymethyl]-N,3-dimethylaniline?
The canonical SMILES for 2-[[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]oxymethyl]-N,3-dimethylaniline is CNc1cccc(C)c1COc1cccc(-c2ccc3c(c2)OCO3)n1.
What is the InChIKey of 2-[[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]oxymethyl]-N,3-dimethylaniline?
The InChIKey is NPXZGLMFFPNZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-14-5-3-7-18(22-2)16(14)12-24-21-8-4-6-17(23-21)15-9-10-19-20(11-15)26-13-25-19/h3-11,22H,12-13H2,1-2H3.
What are the key properties of 2-[[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]oxymethyl]-N,3-dimethylaniline?
2-[[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]oxymethyl]-N,3-dimethylaniline has a molecular weight of 348.40 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]oxymethyl]-N,3-dimethylaniline is sourced from PubChem (CID 144738989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).