N-[(E)-(4-ethoxyphenyl)methylideneamino]-N-methylaniline

C16H18N2O — CID 90481154

IUPACN-[(E)-(4-ethoxyphenyl)methylideneamino]-N-methylaniline
SMILESCCOc1ccc(/C=N/N(C)c2ccccc2)cc1
InChIInChI=1S/C16H18N2O/c1-3-19-16-11-9-14(10-12-16)13-17-18(2)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3/b17-13+
InChIKeyROPJIZNCXWMLIT-GHRIWEEISA-N
MW254.33 g/mol
LogP3.56
Rot. Bonds5

About N-[(E)-(4-ethoxyphenyl)methylideneamino]-N-methylaniline

N-[(E)-(4-ethoxyphenyl)methylideneamino]-N-methylaniline (PubChem CID 90481154) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[(E)-(4-ethoxyphenyl)methylideneamino]-N-methylaniline.

Molecular Properties

Compound NameN-[(E)-(4-ethoxyphenyl)methylideneamino]-N-methylaniline
PubChem CID90481154
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-[(E)-(4-ethoxyphenyl)methylideneamino]-N-methylaniline
SMILESCCOc1ccc(/C=N/N(C)c2ccccc2)cc1
InChIInChI=1S/C16H18N2O/c1-3-19-16-11-9-14(10-12-16)13-17-18(2)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3/b17-13+
InChIKeyROPJIZNCXWMLIT-GHRIWEEISA-N
XLogP3.56
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(4-hexoxyphenyl)methylideneamino]-N-methylaniline
CID 143565465
N,N-diethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]aniline
CID 54333940
4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-diphenylaniline
CID 70499270
1-(4-ethoxyphenyl)-N-phenylmethanimine
CID 555222
4-ethoxy-N-(4-ethoxyphenyl)-N-phenylaniline
CID 18996804
N-[(Z)-[4-[[dimethyl(phenyl)silyl]-dimethylsilyl]phenyl]methylideneamino]-N-methylaniline
CID 71119687
1-ethoxy-4-(2-phenylethenyl)benzene
CID 54277622
N-benzyl-N-[(4-butoxyphenyl)methylideneamino]aniline
CID 4188991
N-methyl-N-[(E)-[1-[6-[4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-yl]methylideneamino]aniline
CID 23117094
N-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methylideneamino]-N-methylaniline
CID 76745592
N-[(3-methoxyphenyl)methylideneamino]-N-methylaniline
CID 3291693
(NZ)-N-[(4-ethoxyphenyl)methylidene]benzenesulfonamide
CID 110518664

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-ethoxyphenyl)methylideneamino]-N-methylaniline?
The IUPAC name of N-[(E)-(4-ethoxyphenyl)methylideneamino]-N-methylaniline (CID 90481154) is N-[(E)-(4-ethoxyphenyl)methylideneamino]-N-methylaniline.
What is the SMILES notation for N-[(E)-(4-ethoxyphenyl)methylideneamino]-N-methylaniline?
The canonical SMILES for N-[(E)-(4-ethoxyphenyl)methylideneamino]-N-methylaniline is CCOc1ccc(/C=N/N(C)c2ccccc2)cc1.
What is the InChIKey of N-[(E)-(4-ethoxyphenyl)methylideneamino]-N-methylaniline?
The InChIKey is ROPJIZNCXWMLIT-GHRIWEEISA-N. The full InChI is InChI=1S/C16H18N2O/c1-3-19-16-11-9-14(10-12-16)13-17-18(2)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3/b17-13+.
What are the key properties of N-[(E)-(4-ethoxyphenyl)methylideneamino]-N-methylaniline?
N-[(E)-(4-ethoxyphenyl)methylideneamino]-N-methylaniline has a molecular weight of 254.33 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-ethoxyphenyl)methylideneamino]-N-methylaniline is sourced from PubChem (CID 90481154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).