4-methyl-2-(methylideneamino)oxyaniline

C8H10N2O — CID 163522746

IUPAC4-methyl-2-(methylideneamino)oxyaniline
SMILESC=NOc1cc(C)ccc1N
InChIInChI=1S/C8H10N2O/c1-6-3-4-7(9)8(5-6)11-10-2/h3-5H,2,9H2,1H3
InChIKeyDMFVQJJFNRAYBT-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.57
Rot. Bonds2

About 4-methyl-2-(methylideneamino)oxyaniline

4-methyl-2-(methylideneamino)oxyaniline (PubChem CID 163522746) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 4-methyl-2-(methylideneamino)oxyaniline.

Molecular Properties

Compound Name4-methyl-2-(methylideneamino)oxyaniline
PubChem CID163522746
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name4-methyl-2-(methylideneamino)oxyaniline
SMILESC=NOc1cc(C)ccc1N
InChIInChI=1S/C8H10N2O/c1-6-3-4-7(9)8(5-6)11-10-2/h3-5H,2,9H2,1H3
InChIKeyDMFVQJJFNRAYBT-UHFFFAOYSA-N
XLogP1.57
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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 4-methyl-2-(methylideneamino)oxyaniline?
The IUPAC name of 4-methyl-2-(methylideneamino)oxyaniline (CID 163522746) is 4-methyl-2-(methylideneamino)oxyaniline.
What is the SMILES notation for 4-methyl-2-(methylideneamino)oxyaniline?
The canonical SMILES for 4-methyl-2-(methylideneamino)oxyaniline is C=NOc1cc(C)ccc1N.
What is the InChIKey of 4-methyl-2-(methylideneamino)oxyaniline?
The InChIKey is DMFVQJJFNRAYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-6-3-4-7(9)8(5-6)11-10-2/h3-5H,2,9H2,1H3.
What are the key properties of 4-methyl-2-(methylideneamino)oxyaniline?
4-methyl-2-(methylideneamino)oxyaniline has a molecular weight of 150.18 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(methylideneamino)oxyaniline is sourced from PubChem (CID 163522746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).