N-[(E)-1-(4-methoxyphenyl)propan-2-ylideneamino]aniline

C16H18N2O — CID 6005812

IUPACN-[(E)-1-(4-methoxyphenyl)propan-2-ylideneamino]aniline
SMILESCOc1ccc(C/C(C)=N/Nc2ccccc2)cc1
InChIInChI=1S/C16H18N2O/c1-13(17-18-15-6-4-3-5-7-15)12-14-8-10-16(19-2)11-9-14/h3-11,18H,12H2,1-2H3/b17-13+
InChIKeyRLEJYIWZOZGWTB-GHRIWEEISA-N
MW254.33 g/mol
LogP3.73
Rot. Bonds5

About N-[(E)-1-(4-methoxyphenyl)propan-2-ylideneamino]aniline

N-[(E)-1-(4-methoxyphenyl)propan-2-ylideneamino]aniline (PubChem CID 6005812) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[(E)-1-(4-methoxyphenyl)propan-2-ylideneamino]aniline.

Molecular Properties

Compound NameN-[(E)-1-(4-methoxyphenyl)propan-2-ylideneamino]aniline
PubChem CID6005812
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-[(E)-1-(4-methoxyphenyl)propan-2-ylideneamino]aniline
SMILESCOc1ccc(C/C(C)=N/Nc2ccccc2)cc1
InChIInChI=1S/C16H18N2O/c1-13(17-18-15-6-4-3-5-7-15)12-14-8-10-16(19-2)11-9-14/h3-11,18H,12H2,1-2H3/b17-13+
InChIKeyRLEJYIWZOZGWTB-GHRIWEEISA-N
XLogP3.73
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.73
H-Bond Donors ≤ 51
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

3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide
CID 141011644
N-[1-(4-methoxyphenyl)propan-2-ylideneamino]-1H-benzimidazol-2-amine;oxalic acid
CID 73242970
4-[(4-methoxyphenyl)hydrazinylidene]pentanoic acid
CID 131854983
2-[(4-methoxyphenyl)hydrazinylidene]-2-phenylethanol
CID 88811907
4-(4-methoxyphenyl)-N-[(Z)-1-phenylpropan-2-ylideneamino]-1,3-thiazol-2-amine;hydrobromide
CID 172886714
4-methoxy-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide
CID 9359348
4-[(2Z)-2-[4-(4-methoxyphenyl)butan-2-ylidene]hydrazinyl]benzoic acid
CID 9012740
2-bromo-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide
CID 7937148
N'-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]oxamide
CID 9120892
4-nitro-N-(1-phenylpropan-2-ylideneamino)aniline
CID 4640620
methyl (4E)-4-(phenylhydrazinylidene)pentanoate
CID 5355076
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-methoxyphenyl)propan-2-ylideneamino]aniline?
The IUPAC name of N-[(E)-1-(4-methoxyphenyl)propan-2-ylideneamino]aniline (CID 6005812) is N-[(E)-1-(4-methoxyphenyl)propan-2-ylideneamino]aniline.
What is the SMILES notation for N-[(E)-1-(4-methoxyphenyl)propan-2-ylideneamino]aniline?
The canonical SMILES for N-[(E)-1-(4-methoxyphenyl)propan-2-ylideneamino]aniline is COc1ccc(C/C(C)=N/Nc2ccccc2)cc1.
What is the InChIKey of N-[(E)-1-(4-methoxyphenyl)propan-2-ylideneamino]aniline?
The InChIKey is RLEJYIWZOZGWTB-GHRIWEEISA-N. The full InChI is InChI=1S/C16H18N2O/c1-13(17-18-15-6-4-3-5-7-15)12-14-8-10-16(19-2)11-9-14/h3-11,18H,12H2,1-2H3/b17-13+.
What are the key properties of N-[(E)-1-(4-methoxyphenyl)propan-2-ylideneamino]aniline?
N-[(E)-1-(4-methoxyphenyl)propan-2-ylideneamino]aniline has a molecular weight of 254.33 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-methoxyphenyl)propan-2-ylideneamino]aniline is sourced from PubChem (CID 6005812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).