N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-methylaniline

C17H20N2O2 — CID 9014773

IUPACN-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-methylaniline
SMILESCCOc1cc(/C=N\Nc2ccccc2C)ccc1OC
InChIInChI=1S/C17H20N2O2/c1-4-21-17-11-14(9-10-16(17)20-3)12-18-19-15-8-6-5-7-13(15)2/h5-12,19H,4H2,1-3H3/b18-12-
InChIKeyOJULUJVQFHFPBV-PDGQHHTCSA-N
MW284.36 g/mol
LogP3.85
Rot. Bonds6

About N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-methylaniline

N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-methylaniline (PubChem CID 9014773) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-methylaniline.

Molecular Properties

Compound NameN-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-methylaniline
PubChem CID9014773
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-methylaniline
SMILESCCOc1cc(/C=N\Nc2ccccc2C)ccc1OC
InChIInChI=1S/C17H20N2O2/c1-4-21-17-11-14(9-10-16(17)20-3)12-18-19-15-8-6-5-7-13(15)2/h5-12,19H,4H2,1-3H3/b18-12-
InChIKeyOJULUJVQFHFPBV-PDGQHHTCSA-N
XLogP3.85
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.85
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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Related Compounds

N'-[(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)propanediamide
CID 3513929
N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-2-methylaniline
CID 4117636
N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147564
N-[[4-methoxy-3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382744
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylaniline
CID 900370
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-ethoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 19617913
3-chloro-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-4-methoxyaniline
CID 110505280
N-[(3-ethoxy-4-methoxyphenyl)methylideneamino]-3-(trifluoromethyl)aniline
CID 110841574
N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylbenzamide
CID 3508725
N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-(2-ethylphenyl)oxamide
CID 8901090
N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-methylaniline
CID 9014704
2-iodo-6-methoxy-4-[(E)-[(2-methylphenyl)hydrazinylidene]methyl]phenol
CID 135824305

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-methylaniline?
The IUPAC name of N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-methylaniline (CID 9014773) is N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-methylaniline.
What is the SMILES notation for N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-methylaniline?
The canonical SMILES for N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-methylaniline is CCOc1cc(/C=N\Nc2ccccc2C)ccc1OC.
What is the InChIKey of N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-methylaniline?
The InChIKey is OJULUJVQFHFPBV-PDGQHHTCSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-4-21-17-11-14(9-10-16(17)20-3)12-18-19-15-8-6-5-7-13(15)2/h5-12,19H,4H2,1-3H3/b18-12-.
What are the key properties of N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-methylaniline?
N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-methylaniline has a molecular weight of 284.36 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-methylaniline is sourced from PubChem (CID 9014773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).