N-(1,3-benzodioxol-4-ylmethyl)-N-(oxolan-2-ylmethyl)ethanamine

C15H21NO3 — CID 50971456

IUPACN-(1,3-benzodioxol-4-ylmethyl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESCCN(Cc1cccc2c1OCO2)CC1CCCO1
InChIInChI=1S/C15H21NO3/c1-2-16(10-13-6-4-8-17-13)9-12-5-3-7-14-15(12)19-11-18-14/h3,5,7,13H,2,4,6,8-11H2,1H3
InChIKeyGIGZVIPKUMLGNU-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.42
Rot. Bonds5

About N-(1,3-benzodioxol-4-ylmethyl)-N-(oxolan-2-ylmethyl)ethanamine

N-(1,3-benzodioxol-4-ylmethyl)-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 50971456) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-ylmethyl)-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-ylmethyl)-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID50971456
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-(1,3-benzodioxol-4-ylmethyl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESCCN(Cc1cccc2c1OCO2)CC1CCCO1
InChIInChI=1S/C15H21NO3/c1-2-16(10-13-6-4-8-17-13)9-12-5-3-7-14-15(12)19-11-18-14/h3,5,7,13H,2,4,6,8-11H2,1H3
InChIKeyGIGZVIPKUMLGNU-UHFFFAOYSA-N
XLogP2.42
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(1,3-benzodioxol-4-ylmethyl)-N-(oxolan-2-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-N-(oxolan-2-ylmethyl)ethanamine (CID 50971456) is N-(1,3-benzodioxol-4-ylmethyl)-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for N-(1,3-benzodioxol-4-ylmethyl)-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for N-(1,3-benzodioxol-4-ylmethyl)-N-(oxolan-2-ylmethyl)ethanamine is CCN(Cc1cccc2c1OCO2)CC1CCCO1.
What is the InChIKey of N-(1,3-benzodioxol-4-ylmethyl)-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is GIGZVIPKUMLGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-16(10-13-6-4-8-17-13)9-12-5-3-7-14-15(12)19-11-18-14/h3,5,7,13H,2,4,6,8-11H2,1H3.
What are the key properties of N-(1,3-benzodioxol-4-ylmethyl)-N-(oxolan-2-ylmethyl)ethanamine?
N-(1,3-benzodioxol-4-ylmethyl)-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 263.34 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-ylmethyl)-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 50971456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).