ethyl 2-[4-(dimethylaminomethylideneamino)phenyl]acetate

C13H18N2O2 — CID 162718722

IUPACethyl 2-[4-(dimethylaminomethylideneamino)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(/N=C/N(C)C)cc1
InChIInChI=1S/C13H18N2O2/c1-4-17-13(16)9-11-5-7-12(8-6-11)14-10-15(2)3/h5-8,10H,4,9H2,1-3H3/b14-10+
InChIKeyCXJLKZKEVOTFQX-GXDHUFHOSA-N
MW234.30 g/mol
LogP2.01
Rot. Bonds5

About ethyl 2-[4-(dimethylaminomethylideneamino)phenyl]acetate

ethyl 2-[4-(dimethylaminomethylideneamino)phenyl]acetate (PubChem CID 162718722) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is ethyl 2-[4-(dimethylaminomethylideneamino)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(dimethylaminomethylideneamino)phenyl]acetate
PubChem CID162718722
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Nameethyl 2-[4-(dimethylaminomethylideneamino)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(/N=C/N(C)C)cc1
InChIInChI=1S/C13H18N2O2/c1-4-17-13(16)9-11-5-7-12(8-6-11)14-10-15(2)3/h5-8,10H,4,9H2,1-3H3/b14-10+
InChIKeyCXJLKZKEVOTFQX-GXDHUFHOSA-N
XLogP2.01
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze ethyl 2-[4-(dimethylaminomethylideneamino)phenyl]acetate 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

ethyl 2-[4-(diaminomethylideneamino)phenyl]acetate
CID 119087282
ethyl 2-(4-phenyldiazenylphenyl)acetate
CID 86675520
ethyl 2-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]acetate
CID 168605980
ethyl 2-phenylacetate
CID 7590
ethyl 2-[4-[(E)-2-phenylethenyl]phenyl]acetate
CID 142533031
ethyl 2-phenylacetate;hydrate
CID 141257001
ethyl 2-(4-trimethylsilylphenyl)acetate
CID 125466611
ethyl 2-(4-methanimidoylphenyl)acetate
CID 86679361
ethyl 2-chloro-4-(dimethylaminomethylideneamino)benzoate
CID 140840681
ethyl 2-[4-[butyl(methyl)amino]phenyl]acetate
CID 90146756
CID 57459210
CID 57459210
ethyl 2-(4-isocyanophenyl)acetate
CID 20780504

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(dimethylaminomethylideneamino)phenyl]acetate?
The IUPAC name of ethyl 2-[4-(dimethylaminomethylideneamino)phenyl]acetate (CID 162718722) is ethyl 2-[4-(dimethylaminomethylideneamino)phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-(dimethylaminomethylideneamino)phenyl]acetate?
The canonical SMILES for ethyl 2-[4-(dimethylaminomethylideneamino)phenyl]acetate is CCOC(=O)Cc1ccc(/N=C/N(C)C)cc1.
What is the InChIKey of ethyl 2-[4-(dimethylaminomethylideneamino)phenyl]acetate?
The InChIKey is CXJLKZKEVOTFQX-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-4-17-13(16)9-11-5-7-12(8-6-11)14-10-15(2)3/h5-8,10H,4,9H2,1-3H3/b14-10+.
What are the key properties of ethyl 2-[4-(dimethylaminomethylideneamino)phenyl]acetate?
ethyl 2-[4-(dimethylaminomethylideneamino)phenyl]acetate has a molecular weight of 234.30 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(dimethylaminomethylideneamino)phenyl]acetate is sourced from PubChem (CID 162718722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).