N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,6-difluoroaniline

C16H15F2NO2 — CID 43123968

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,6-difluoroaniline
SMILESCC(Nc1c(F)cccc1F)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H15F2NO2/c1-10(19-16-12(17)3-2-4-13(16)18)11-5-6-14-15(9-11)21-8-7-20-14/h2-6,9-10,19H,7-8H2,1H3
InChIKeyFMFPGFLNPMSEDG-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.91
Rot. Bonds3

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,6-difluoroaniline

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,6-difluoroaniline (PubChem CID 43123968) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,6-difluoroaniline.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,6-difluoroaniline
PubChem CID43123968
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,6-difluoroaniline
SMILESCC(Nc1c(F)cccc1F)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H15F2NO2/c1-10(19-16-12(17)3-2-4-13(16)18)11-5-6-14-15(9-11)21-8-7-20-14/h2-6,9-10,19H,7-8H2,1H3
InChIKeyFMFPGFLNPMSEDG-UHFFFAOYSA-N
XLogP3.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-bromo-6-fluoroaniline
CID 107598516
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-fluoroaniline
CID 43194260
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpropan-1-amine
CID 43177362
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-fluoroaniline
CID 43194239
3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)ethyl]phenol
CID 43193625
3-(4-chlorophenyl)-4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclobut-3-ene-1,2-dione
CID 20917348
1-(1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]ethanamine
CID 43689423
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyrrol-1-amine
CID 79089648
6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 22951095
3,4-dichloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]aniline
CID 43096444
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-fluorobenzamide
CID 4653721
2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]benzonitrile
CID 43178626

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,6-difluoroaniline?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,6-difluoroaniline (CID 43123968) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,6-difluoroaniline.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,6-difluoroaniline?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,6-difluoroaniline is CC(Nc1c(F)cccc1F)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,6-difluoroaniline?
The InChIKey is FMFPGFLNPMSEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-10(19-16-12(17)3-2-4-13(16)18)11-5-6-14-15(9-11)21-8-7-20-14/h2-6,9-10,19H,7-8H2,1H3.
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,6-difluoroaniline?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,6-difluoroaniline has a molecular weight of 291.30 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,6-difluoroaniline is sourced from PubChem (CID 43123968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).