N-methyl-2-[(2E)-2-[methyl(phenyl)hydrazinylidene]ethoxy]aniline

C16H19N3O — CID 143578012

IUPACN-methyl-2-[(2E)-2-[methyl(phenyl)hydrazinylidene]ethoxy]aniline
SMILESCNc1ccccc1OC/C=N/N(C)c1ccccc1
InChIInChI=1S/C16H19N3O/c1-17-15-10-6-7-11-16(15)20-13-12-18-19(2)14-8-4-3-5-9-14/h3-12,17H,13H2,1-2H3/b18-12+
InChIKeyMIPISKNQKYLGGU-LDADJPATSA-N
MW269.35 g/mol
LogP3.23
Rot. Bonds6

About N-methyl-2-[(2E)-2-[methyl(phenyl)hydrazinylidene]ethoxy]aniline

N-methyl-2-[(2E)-2-[methyl(phenyl)hydrazinylidene]ethoxy]aniline (PubChem CID 143578012) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-methyl-2-[(2E)-2-[methyl(phenyl)hydrazinylidene]ethoxy]aniline.

Molecular Properties

Compound NameN-methyl-2-[(2E)-2-[methyl(phenyl)hydrazinylidene]ethoxy]aniline
PubChem CID143578012
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-methyl-2-[(2E)-2-[methyl(phenyl)hydrazinylidene]ethoxy]aniline
SMILESCNc1ccccc1OC/C=N/N(C)c1ccccc1
InChIInChI=1S/C16H19N3O/c1-17-15-10-6-7-11-16(15)20-13-12-18-19(2)14-8-4-3-5-9-14/h3-12,17H,13H2,1-2H3/b18-12+
InChIKeyMIPISKNQKYLGGU-LDADJPATSA-N
XLogP3.23
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
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-methyl-2-[(2E)-2-[methyl(phenyl)hydrazinylidene]ethoxy]aniline?
The IUPAC name of N-methyl-2-[(2E)-2-[methyl(phenyl)hydrazinylidene]ethoxy]aniline (CID 143578012) is N-methyl-2-[(2E)-2-[methyl(phenyl)hydrazinylidene]ethoxy]aniline.
What is the SMILES notation for N-methyl-2-[(2E)-2-[methyl(phenyl)hydrazinylidene]ethoxy]aniline?
The canonical SMILES for N-methyl-2-[(2E)-2-[methyl(phenyl)hydrazinylidene]ethoxy]aniline is CNc1ccccc1OC/C=N/N(C)c1ccccc1.
What is the InChIKey of N-methyl-2-[(2E)-2-[methyl(phenyl)hydrazinylidene]ethoxy]aniline?
The InChIKey is MIPISKNQKYLGGU-LDADJPATSA-N. The full InChI is InChI=1S/C16H19N3O/c1-17-15-10-6-7-11-16(15)20-13-12-18-19(2)14-8-4-3-5-9-14/h3-12,17H,13H2,1-2H3/b18-12+.
What are the key properties of N-methyl-2-[(2E)-2-[methyl(phenyl)hydrazinylidene]ethoxy]aniline?
N-methyl-2-[(2E)-2-[methyl(phenyl)hydrazinylidene]ethoxy]aniline has a molecular weight of 269.35 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2E)-2-[methyl(phenyl)hydrazinylidene]ethoxy]aniline is sourced from PubChem (CID 143578012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).