N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,2-dimethylindol-3-yl)methanimine

C19H18N2O2 — CID 2344599

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,2-dimethylindol-3-yl)methanimine
SMILESCc1c(/C=N/c2ccc3c(c2)OCCO3)c2ccccc2n1C
InChIInChI=1S/C19H18N2O2/c1-13-16(15-5-3-4-6-17(15)21(13)2)12-20-14-7-8-18-19(11-14)23-10-9-22-18/h3-8,11-12H,9-10H2,1-2H3/b20-12+
InChIKeyUJMPLIOHJCZUGH-UDWIEESQSA-N
MW306.37 g/mol
LogP4.01
Rot. Bonds2

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,2-dimethylindol-3-yl)methanimine

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,2-dimethylindol-3-yl)methanimine (PubChem CID 2344599) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,2-dimethylindol-3-yl)methanimine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,2-dimethylindol-3-yl)methanimine
PubChem CID2344599
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,2-dimethylindol-3-yl)methanimine
SMILESCc1c(/C=N/c2ccc3c(c2)OCCO3)c2ccccc2n1C
InChIInChI=1S/C19H18N2O2/c1-13-16(15-5-3-4-6-17(15)21(13)2)12-20-14-7-8-18-19(11-14)23-10-9-22-18/h3-8,11-12H,9-10H2,1-2H3/b20-12+
InChIKeyUJMPLIOHJCZUGH-UDWIEESQSA-N
XLogP4.01
TPSA35.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,2-dimethylindol-3-yl)methanimine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,2-dimethylindol-3-yl)methanimine (CID 2344599) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,2-dimethylindol-3-yl)methanimine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,2-dimethylindol-3-yl)methanimine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,2-dimethylindol-3-yl)methanimine is Cc1c(/C=N/c2ccc3c(c2)OCCO3)c2ccccc2n1C.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,2-dimethylindol-3-yl)methanimine?
The InChIKey is UJMPLIOHJCZUGH-UDWIEESQSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13-16(15-5-3-4-6-17(15)21(13)2)12-20-14-7-8-18-19(11-14)23-10-9-22-18/h3-8,11-12H,9-10H2,1-2H3/b20-12+.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,2-dimethylindol-3-yl)methanimine?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,2-dimethylindol-3-yl)methanimine has a molecular weight of 306.37 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,2-dimethylindol-3-yl)methanimine is sourced from PubChem (CID 2344599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).