N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,5-difluoroaniline

C15H13F2NO2 — CID 28614019

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,5-difluoroaniline
SMILESFc1ccc(F)c(NCc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C15H13F2NO2/c16-11-2-3-12(17)13(8-11)18-9-10-1-4-14-15(7-10)20-6-5-19-14/h1-4,7-8,18H,5-6,9H2
InChIKeyFSHLVKPJBRXEPZ-UHFFFAOYSA-N
MW277.27 g/mol
LogP3.35
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,5-difluoroaniline

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,5-difluoroaniline (PubChem CID 28614019) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,5-difluoroaniline.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,5-difluoroaniline
PubChem CID28614019
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,5-difluoroaniline
SMILESFc1ccc(F)c(NCc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C15H13F2NO2/c16-11-2-3-12(17)13(8-11)18-9-10-1-4-14-15(7-10)20-6-5-19-14/h1-4,7-8,18H,5-6,9H2
InChIKeyFSHLVKPJBRXEPZ-UHFFFAOYSA-N
XLogP3.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-fluoroaniline
CID 43555257
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,5-difluoroaniline
CID 43804025
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,5-difluoroaniline
CID 43217408
2-bromo-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-fluoroaniline
CID 60868599
N-(1,3-benzodioxol-5-ylmethyl)-5-bromo-2-fluoroaniline
CID 43555202
N-(1,3-benzodioxol-5-ylmethyl)-2,4,5-trifluoroaniline
CID 62814652
6-N-[(4-fluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 28904068
N-[(4-bromo-3-chlorophenyl)methyl]-2,5-difluoroaniline
CID 114076366
2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)benzene-1,2-diamine
CID 115124436
N-(1,3-benzodioxol-5-ylmethyl)-2,5-difluoro-4-methylaniline
CID 103584645
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-fluoro-4-methylaniline
CID 28617768
[4-[(2,5-difluoroanilino)methyl]phenyl]methanol
CID 110006440

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,5-difluoroaniline?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,5-difluoroaniline (CID 28614019) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,5-difluoroaniline.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,5-difluoroaniline?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,5-difluoroaniline is Fc1ccc(F)c(NCc2ccc3c(c2)OCCO3)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,5-difluoroaniline?
The InChIKey is FSHLVKPJBRXEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2/c16-11-2-3-12(17)13(8-11)18-9-10-1-4-14-15(7-10)20-6-5-19-14/h1-4,7-8,18H,5-6,9H2.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,5-difluoroaniline?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,5-difluoroaniline has a molecular weight of 277.27 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,5-difluoroaniline is sourced from PubChem (CID 28614019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).