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

C15H15NO2 — CID 82766369

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylaniline
SMILESCc1ccc(-c2ccc3c(c2)OCCO3)c(N)c1
InChIInChI=1S/C15H15NO2/c1-10-2-4-12(13(16)8-10)11-3-5-14-15(9-11)18-7-6-17-14/h2-5,8-9H,6-7,16H2,1H3
InChIKeyCKYMNEJVPJMNCE-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.02
Rot. Bonds1

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

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylaniline (PubChem CID 82766369) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylaniline.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylaniline
PubChem CID82766369
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylaniline
SMILESCc1ccc(-c2ccc3c(c2)OCCO3)c(N)c1
InChIInChI=1S/C15H15NO2/c1-10-2-4-12(13(16)8-10)11-3-5-14-15(9-11)18-7-6-17-14/h2-5,8-9H,6-7,16H2,1H3
InChIKeyCKYMNEJVPJMNCE-UHFFFAOYSA-N
XLogP3.02
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylaniline?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylaniline (CID 82766369) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylaniline.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylaniline?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylaniline is Cc1ccc(-c2ccc3c(c2)OCCO3)c(N)c1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylaniline?
The InChIKey is CKYMNEJVPJMNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-10-2-4-12(13(16)8-10)11-3-5-14-15(9-11)18-7-6-17-14/h2-5,8-9H,6-7,16H2,1H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylaniline?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylaniline has a molecular weight of 241.29 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylaniline is sourced from PubChem (CID 82766369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).