N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-methylaniline

C17H20N2O2 — CID 5333431

IUPACN-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-methylaniline
SMILESCCOc1ccc(/C=N/N(C)c2ccccc2)cc1OC
InChIInChI=1S/C17H20N2O2/c1-4-21-16-11-10-14(12-17(16)20-3)13-18-19(2)15-8-6-5-7-9-15/h5-13H,4H2,1-3H3/b18-13+
InChIKeyKTWRZNOENSFNPG-QGOAFFKASA-N
MW284.36 g/mol
LogP3.56
Rot. Bonds6

About N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-methylaniline

N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-methylaniline (PubChem CID 5333431) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-methylaniline.

Molecular Properties

Compound NameN-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-methylaniline
PubChem CID5333431
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-methylaniline
SMILESCCOc1ccc(/C=N/N(C)c2ccccc2)cc1OC
InChIInChI=1S/C17H20N2O2/c1-4-21-16-11-10-14(12-17(16)20-3)13-18-19(2)15-8-6-5-7-9-15/h5-13H,4H2,1-3H3/b18-13+
InChIKeyKTWRZNOENSFNPG-QGOAFFKASA-N
XLogP3.56
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.56
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)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-methylaniline?
The IUPAC name of N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-methylaniline (CID 5333431) is N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-methylaniline.
What is the SMILES notation for N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-methylaniline?
The canonical SMILES for N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-methylaniline is CCOc1ccc(/C=N/N(C)c2ccccc2)cc1OC.
What is the InChIKey of N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-methylaniline?
The InChIKey is KTWRZNOENSFNPG-QGOAFFKASA-N. The full InChI is InChI=1S/C17H20N2O2/c1-4-21-16-11-10-14(12-17(16)20-3)13-18-19(2)15-8-6-5-7-9-15/h5-13H,4H2,1-3H3/b18-13+.
What are the key properties of N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-methylaniline?
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-methylaniline has a molecular weight of 284.36 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-methylaniline is sourced from PubChem (CID 5333431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).