1-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]ethanone

C18H19NO — CID 4017717

IUPAC1-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]ethanone
SMILESCC(=O)c1ccc(/N=C/c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C18H19NO/c1-13(2)16-6-4-15(5-7-16)12-19-18-10-8-17(9-11-18)14(3)20/h4-13H,1-3H3/b19-12+
InChIKeyJARJUPXUNBLSAT-XDHOZWIPSA-N
MW265.36 g/mol
LogP4.76
Rot. Bonds4

About 1-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]ethanone

1-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]ethanone (PubChem CID 4017717) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]ethanone
PubChem CID4017717
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name1-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]ethanone
SMILESCC(=O)c1ccc(/N=C/c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C18H19NO/c1-13(2)16-6-4-15(5-7-16)12-19-18-10-8-17(9-11-18)14(3)20/h4-13H,1-3H3/b19-12+
InChIKeyJARJUPXUNBLSAT-XDHOZWIPSA-N
XLogP4.76
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-propan-2-ylphenyl)methylideneamino]benzamide
CID 1240043
ethane;1-(4-propan-2-ylphenyl)ethanone
CID 143075063
1-[4-[(4-nitrophenyl)methylideneamino]phenyl]ethanone
CID 620155
4-[[4-[bis[4-[(4-carboxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]benzoic acid
CID 122371002
N-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]butanamide
CID 835055
4-[[4-[(4-carboxyphenyl)iminomethyl]phenyl]methylideneamino]benzoic acid
CID 3419658
N-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]heptanamide
CID 56695059
1-[4-(4-propan-2-ylphenoxy)phenyl]ethanone
CID 28524219
1-[3-[[4-[(3-acetylphenyl)iminomethyl]phenyl]methylideneamino]phenyl]ethanone
CID 1272171
4-[(4-methylphenyl)iminomethyl]benzoic acid
CID 3402295
(4-acetylphenyl) (E)-3-(4-propan-2-ylphenyl)prop-2-enoate
CID 19181737
1-[4-[(E)-iodoiminomethyl]phenyl]ethanone
CID 143277433

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]ethanone?
The IUPAC name of 1-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]ethanone (CID 4017717) is 1-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]ethanone?
The canonical SMILES for 1-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]ethanone is CC(=O)c1ccc(/N=C/c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 1-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]ethanone?
The InChIKey is JARJUPXUNBLSAT-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H19NO/c1-13(2)16-6-4-15(5-7-16)12-19-18-10-8-17(9-11-18)14(3)20/h4-13H,1-3H3/b19-12+.
What are the key properties of 1-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]ethanone?
1-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]ethanone has a molecular weight of 265.36 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]ethanone is sourced from PubChem (CID 4017717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).