2-(1,3-benzodioxol-5-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine

C21H25NO2 — CID 10687392

IUPAC2-(1,3-benzodioxol-5-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
SMILESCN(CCc1ccc2c(c1)OCO2)CC1CCCc2ccccc21
InChIInChI=1S/C21H25NO2/c1-22(12-11-16-9-10-20-21(13-16)24-15-23-20)14-18-7-4-6-17-5-2-3-8-19(17)18/h2-3,5,8-10,13,18H,4,6-7,11-12,14-15H2,1H3
InChIKeyFOYKMPHXIGFZBK-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.01
Rot. Bonds5

About 2-(1,3-benzodioxol-5-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine

2-(1,3-benzodioxol-5-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine (PubChem CID 10687392) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
PubChem CID10687392
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
SMILESCN(CCc1ccc2c(c1)OCO2)CC1CCCc2ccccc21
InChIInChI=1S/C21H25NO2/c1-22(12-11-16-9-10-20-21(13-16)24-15-23-20)14-18-7-4-6-17-5-2-3-8-19(17)18/h2-3,5,8-10,13,18H,4,6-7,11-12,14-15H2,1H3
InChIKeyFOYKMPHXIGFZBK-UHFFFAOYSA-N
XLogP4.01
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine (CID 10687392) is 2-(1,3-benzodioxol-5-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine is CN(CCc1ccc2c(c1)OCO2)CC1CCCc2ccccc21.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine?
The InChIKey is FOYKMPHXIGFZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-22(12-11-16-9-10-20-21(13-16)24-15-23-20)14-18-7-4-6-17-5-2-3-8-19(17)18/h2-3,5,8-10,13,18H,4,6-7,11-12,14-15H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine?
2-(1,3-benzodioxol-5-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine has a molecular weight of 323.44 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine is sourced from PubChem (CID 10687392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).