N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-methylaniline

C15H14N2O2 — CID 5333437

IUPACN-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-methylaniline
SMILESCN(/N=C/c1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C15H14N2O2/c1-17(13-5-3-2-4-6-13)16-10-12-7-8-14-15(9-12)19-11-18-14/h2-10H,11H2,1H3/b16-10+
InChIKeyIWOAVJSKIPNPKL-MHWRWJLKSA-N
MW254.29 g/mol
LogP2.89
Rot. Bonds3

About N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-methylaniline

N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-methylaniline (PubChem CID 5333437) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-methylaniline.

Molecular Properties

Compound NameN-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-methylaniline
PubChem CID5333437
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC NameN-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-methylaniline
SMILESCN(/N=C/c1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C15H14N2O2/c1-17(13-5-3-2-4-6-13)16-10-12-7-8-14-15(9-12)19-11-18-14/h2-10H,11H2,1H3/b16-10+
InChIKeyIWOAVJSKIPNPKL-MHWRWJLKSA-N
XLogP2.89
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-methylaniline?
The IUPAC name of N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-methylaniline (CID 5333437) is N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-methylaniline.
What is the SMILES notation for N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-methylaniline?
The canonical SMILES for N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-methylaniline is CN(/N=C/c1ccc2c(c1)OCO2)c1ccccc1.
What is the InChIKey of N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-methylaniline?
The InChIKey is IWOAVJSKIPNPKL-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-17(13-5-3-2-4-6-13)16-10-12-7-8-14-15(9-12)19-11-18-14/h2-10H,11H2,1H3/b16-10+.
What are the key properties of N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-methylaniline?
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-methylaniline has a molecular weight of 254.29 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-methylaniline is sourced from PubChem (CID 5333437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).