1-[3-[(2,5-dimethoxyphenyl)methylideneamino]phenyl]ethanone

C17H17NO3 — CID 874944

IUPAC1-[3-[(2,5-dimethoxyphenyl)methylideneamino]phenyl]ethanone
SMILESCOc1ccc(OC)c(/C=N/c2cccc(C(C)=O)c2)c1
InChIInChI=1S/C17H17NO3/c1-12(19)13-5-4-6-15(9-13)18-11-14-10-16(20-2)7-8-17(14)21-3/h4-11H,1-3H3/b18-11+
InChIKeyHAVVXPOMAMFFTE-WOJGMQOQSA-N
MW283.33 g/mol
LogP3.66
Rot. Bonds5

About 1-[3-[(2,5-dimethoxyphenyl)methylideneamino]phenyl]ethanone

1-[3-[(2,5-dimethoxyphenyl)methylideneamino]phenyl]ethanone (PubChem CID 874944) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-[3-[(2,5-dimethoxyphenyl)methylideneamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(2,5-dimethoxyphenyl)methylideneamino]phenyl]ethanone
PubChem CID874944
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name1-[3-[(2,5-dimethoxyphenyl)methylideneamino]phenyl]ethanone
SMILESCOc1ccc(OC)c(/C=N/c2cccc(C(C)=O)c2)c1
InChIInChI=1S/C17H17NO3/c1-12(19)13-5-4-6-15(9-13)18-11-14-10-16(20-2)7-8-17(14)21-3/h4-11H,1-3H3/b18-11+
InChIKeyHAVVXPOMAMFFTE-WOJGMQOQSA-N
XLogP3.66
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[3-[(2,5-dimethoxyphenyl)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

1-[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]ethanone
CID 135595395
3-[(2-methoxyphenyl)methylideneamino]benzoic acid
CID 961438
1-[3-[[4-[(3-acetylphenyl)iminomethyl]phenyl]methylideneamino]phenyl]ethanone
CID 1272171
3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-methylbenzamide
CID 135758537
1-[3-[[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxymethyl]-4-methoxyphenyl]ethanone
CID 9355424
3-[(2-methoxy-5-nitrophenyl)methylideneamino]benzoic acid
CID 690081
3-[(3,4-dimethoxyphenyl)methylideneamino]benzoic acid
CID 964852
1-[3-[(2-ethoxyphenyl)methylideneamino]phenyl]ethanone
CID 693758
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 6026549
methyl N-[(2,5-dimethoxyphenyl)methylideneamino]carbamate
CID 5087461
1-[3-(2,5-dimethoxyphenyl)phenyl]ethanone
CID 21460495
N-[(2,5-dimethoxyphenyl)methylidene]hydroxylamine
CID 2755791

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2,5-dimethoxyphenyl)methylideneamino]phenyl]ethanone?
The IUPAC name of 1-[3-[(2,5-dimethoxyphenyl)methylideneamino]phenyl]ethanone (CID 874944) is 1-[3-[(2,5-dimethoxyphenyl)methylideneamino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[(2,5-dimethoxyphenyl)methylideneamino]phenyl]ethanone?
The canonical SMILES for 1-[3-[(2,5-dimethoxyphenyl)methylideneamino]phenyl]ethanone is COc1ccc(OC)c(/C=N/c2cccc(C(C)=O)c2)c1.
What is the InChIKey of 1-[3-[(2,5-dimethoxyphenyl)methylideneamino]phenyl]ethanone?
The InChIKey is HAVVXPOMAMFFTE-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H17NO3/c1-12(19)13-5-4-6-15(9-13)18-11-14-10-16(20-2)7-8-17(14)21-3/h4-11H,1-3H3/b18-11+.
What are the key properties of 1-[3-[(2,5-dimethoxyphenyl)methylideneamino]phenyl]ethanone?
1-[3-[(2,5-dimethoxyphenyl)methylideneamino]phenyl]ethanone has a molecular weight of 283.33 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2,5-dimethoxyphenyl)methylideneamino]phenyl]ethanone is sourced from PubChem (CID 874944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).