2-(1,3-benzodioxol-5-yl)-N-[(2-ethoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine

C24H26N2O3 — CID 1131786

IUPAC2-(1,3-benzodioxol-5-yl)-N-[(2-ethoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine
SMILESCCOc1ccccc1CN(CCc1ccc2c(c1)OCO2)Cc1ccccn1
InChIInChI=1S/C24H26N2O3/c1-2-27-22-9-4-3-7-20(22)16-26(17-21-8-5-6-13-25-21)14-12-19-10-11-23-24(15-19)29-18-28-23/h3-11,13,15H,2,12,14,16-18H2,1H3
InChIKeyZULFRKZYEQZTBD-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.45
Rot. Bonds9

About 2-(1,3-benzodioxol-5-yl)-N-[(2-ethoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine

2-(1,3-benzodioxol-5-yl)-N-[(2-ethoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 1131786) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-[(2-ethoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-[(2-ethoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID1131786
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-[(2-ethoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine
SMILESCCOc1ccccc1CN(CCc1ccc2c(c1)OCO2)Cc1ccccn1
InChIInChI=1S/C24H26N2O3/c1-2-27-22-9-4-3-7-20(22)16-26(17-21-8-5-6-13-25-21)14-12-19-10-11-23-24(15-19)29-18-28-23/h3-11,13,15H,2,12,14,16-18H2,1H3
InChIKeyZULFRKZYEQZTBD-UHFFFAOYSA-N
XLogP4.45
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[(2-ethoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[(2-ethoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine (CID 1131786) is 2-(1,3-benzodioxol-5-yl)-N-[(2-ethoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-[(2-ethoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-[(2-ethoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine is CCOc1ccccc1CN(CCc1ccc2c(c1)OCO2)Cc1ccccn1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-[(2-ethoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is ZULFRKZYEQZTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-2-27-22-9-4-3-7-20(22)16-26(17-21-8-5-6-13-25-21)14-12-19-10-11-23-24(15-19)29-18-28-23/h3-11,13,15H,2,12,14,16-18H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-[(2-ethoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine?
2-(1,3-benzodioxol-5-yl)-N-[(2-ethoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 390.48 g/mol, XLogP of 4.45, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-[(2-ethoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 1131786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).