5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dimethylaniline

C16H17NO2 — CID 82088714

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dimethylaniline
SMILESCc1cc(-c2ccc3c(c2)OCCO3)cc(N)c1C
InChIInChI=1S/C16H17NO2/c1-10-7-13(8-14(17)11(10)2)12-3-4-15-16(9-12)19-6-5-18-15/h3-4,7-9H,5-6,17H2,1-2H3
InChIKeyMFLQSFIKIWZSID-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.32
Rot. Bonds1

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dimethylaniline

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dimethylaniline (PubChem CID 82088714) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dimethylaniline.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dimethylaniline
PubChem CID82088714
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dimethylaniline
SMILESCc1cc(-c2ccc3c(c2)OCCO3)cc(N)c1C
InChIInChI=1S/C16H17NO2/c1-10-7-13(8-14(17)11(10)2)12-3-4-15-16(9-12)19-6-5-18-15/h3-4,7-9H,5-6,17H2,1-2H3
InChIKeyMFLQSFIKIWZSID-UHFFFAOYSA-N
XLogP3.32
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methanamine;hydrochloride
CID 172650755
2,3-dimethyl-5-(3,4,5-trimethylphenyl)aniline
CID 89336175
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylaniline
CID 82766369
17-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 23636185
20-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
CID 101436486
5-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,3-diol
CID 102219638
4-(1,3-benzodioxol-5-yl)benzene-1,2-diamine
CID 22478061
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidin-5-amine
CID 82477974
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazole-1,5-diamine
CID 62483187
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indol-3-amine
CID 70796354
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethylaniline
CID 81289628
6-(3-ethenyl-5-methylphenyl)-2,3-dihydro-1,4-benzodioxine
CID 172650802

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dimethylaniline?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dimethylaniline (CID 82088714) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dimethylaniline.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dimethylaniline?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dimethylaniline is Cc1cc(-c2ccc3c(c2)OCCO3)cc(N)c1C.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dimethylaniline?
The InChIKey is MFLQSFIKIWZSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-10-7-13(8-14(17)11(10)2)12-3-4-15-16(9-12)19-6-5-18-15/h3-4,7-9H,5-6,17H2,1-2H3.
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dimethylaniline?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dimethylaniline has a molecular weight of 255.32 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dimethylaniline is sourced from PubChem (CID 82088714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).