2-(2,2-difluoroethoxy)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)ethanamine

C13H17F2NO3 — CID 103081223

IUPAC2-(2,2-difluoroethoxy)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)ethanamine
SMILESFC(F)COCCNCc1cccc2c1OCCO2
InChIInChI=1S/C13H17F2NO3/c14-12(15)9-17-5-4-16-8-10-2-1-3-11-13(10)19-7-6-18-11/h1-3,12,16H,4-9H2
InChIKeyJLIHVYOQCJOSMZ-UHFFFAOYSA-N
MW273.28 g/mol
LogP1.83
Rot. Bonds7

About 2-(2,2-difluoroethoxy)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)ethanamine

2-(2,2-difluoroethoxy)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)ethanamine (PubChem CID 103081223) has the molecular formula C13H17F2NO3 and a molecular weight of 273.28 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)ethanamine
PubChem CID103081223
Molecular FormulaC13H17F2NO3
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC Name2-(2,2-difluoroethoxy)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)ethanamine
SMILESFC(F)COCCNCc1cccc2c1OCCO2
InChIInChI=1S/C13H17F2NO3/c14-12(15)9-17-5-4-16-8-10-2-1-3-11-13(10)19-7-6-18-11/h1-3,12,16H,4-9H2
InChIKeyJLIHVYOQCJOSMZ-UHFFFAOYSA-N
XLogP1.83
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2,2-difluoroethoxy)-N-(2,3-dihydro-1,4-benzodioxin-5-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

Related Compounds

5-[2-(2,2-difluoroethoxy)ethoxy]-2,3-dihydro-1,4-benzodioxine
CID 99827780
N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-3-methylbutan-1-amine
CID 43583425
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-ethenoxypropan-1-amine
CID 43583752
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)pentan-1-amine
CID 43583339
N-[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)ethyl]-2-methylpropanamide
CID 43583637
2-(2,2-difluoroethoxy)-N-[(2-methylphenyl)methyl]ethanamine
CID 103081199
1-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)methanamine
CID 43583314
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpropan-1-amine
CID 43583302
N-(1,3-benzodioxol-4-ylmethyl)-2-propan-2-yloxyethanamine
CID 54957908
N-[(2-bromo-3-fluorophenyl)methyl]-2-(2,2-difluoroethoxy)ethanamine
CID 114127458
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)pent-4-yn-1-amine
CID 113243560
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-methylsulfanylbutan-1-amine
CID 115639253

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)ethanamine?
The IUPAC name of 2-(2,2-difluoroethoxy)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)ethanamine (CID 103081223) is 2-(2,2-difluoroethoxy)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)ethanamine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)ethanamine is FC(F)COCCNCc1cccc2c1OCCO2.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)ethanamine?
The InChIKey is JLIHVYOQCJOSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3/c14-12(15)9-17-5-4-16-8-10-2-1-3-11-13(10)19-7-6-18-11/h1-3,12,16H,4-9H2.
What are the key properties of 2-(2,2-difluoroethoxy)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)ethanamine?
2-(2,2-difluoroethoxy)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)ethanamine has a molecular weight of 273.28 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)ethanamine is sourced from PubChem (CID 103081223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).