6-N-(2,5-difluoro-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine

C15H14F2N2O2 — CID 103584526

IUPAC6-N-(2,5-difluoro-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
SMILESCc1cc(F)c(Nc2cc3c(cc2N)OCCO3)cc1F
InChIInChI=1S/C15H14F2N2O2/c1-8-4-10(17)12(5-9(8)16)19-13-7-15-14(6-11(13)18)20-2-3-21-15/h4-7,19H,2-3,18H2,1H3
InChIKeyCNCJPHSIHRSLHC-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.37
Rot. Bonds2

About 6-N-(2,5-difluoro-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine

6-N-(2,5-difluoro-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine (PubChem CID 103584526) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is 6-N-(2,5-difluoro-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine.

Molecular Properties

Compound Name6-N-(2,5-difluoro-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
PubChem CID103584526
Molecular FormulaC15H14F2N2O2
Molecular Weight292.29 g/mol
Exact Mass292.10
IUPAC Name6-N-(2,5-difluoro-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
SMILESCc1cc(F)c(Nc2cc3c(cc2N)OCCO3)cc1F
InChIInChI=1S/C15H14F2N2O2/c1-8-4-10(17)12(5-9(8)16)19-13-7-15-14(6-11(13)18)20-2-3-21-15/h4-7,19H,2-3,18H2,1H3
InChIKeyCNCJPHSIHRSLHC-UHFFFAOYSA-N
XLogP3.37
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 29080229
6-N-(4-bromo-3-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 65437457
6-N-[4-(dimethylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 43616848
6-N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 29067543
6-N-(3-bromo-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 107633727
1-N-(5-bromo-2,4-difluorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590831
6-N-(methylsulfamoyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 114804542
3-amino-4-(2,5-difluoro-4-methylanilino)benzonitrile
CID 103584481
ethane;7-methyl-2,3-dihydro-1,4-benzodioxin-6-amine
CID 145173589
1-N-(5-chloro-2-fluorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103589946
4-fluoro-1-N-(2-fluoro-5-methylphenyl)-5-methylbenzene-1,2-diamine
CID 103589902
6-N-(4-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 29066419

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,5-difluoro-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine?
The IUPAC name of 6-N-(2,5-difluoro-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine (CID 103584526) is 6-N-(2,5-difluoro-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine.
What is the SMILES notation for 6-N-(2,5-difluoro-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine?
The canonical SMILES for 6-N-(2,5-difluoro-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine is Cc1cc(F)c(Nc2cc3c(cc2N)OCCO3)cc1F.
What is the InChIKey of 6-N-(2,5-difluoro-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine?
The InChIKey is CNCJPHSIHRSLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c1-8-4-10(17)12(5-9(8)16)19-13-7-15-14(6-11(13)18)20-2-3-21-15/h4-7,19H,2-3,18H2,1H3.
What are the key properties of 6-N-(2,5-difluoro-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine?
6-N-(2,5-difluoro-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine has a molecular weight of 292.29 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,5-difluoro-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine is sourced from PubChem (CID 103584526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).