5-ethoxy-3-[(4-methylphenyl)methylamino]-2-phenoxybenzenediazonium

C22H22N3O2+ — CID 21292593

IUPAC5-ethoxy-3-[(4-methylphenyl)methylamino]-2-phenoxybenzenediazonium
SMILESCCOc1cc([N+]#N)c(Oc2ccccc2)c(NCc2ccc(C)cc2)c1
InChIInChI=1S/C22H22N3O2/c1-3-26-19-13-20(24-15-17-11-9-16(2)10-12-17)22(21(14-19)25-23)27-18-7-5-4-6-8-18/h4-14,24H,3,15H2,1-2H3/q+1
InChIKeyDTQCGCLAHRPXSI-UHFFFAOYSA-N
MW360.44 g/mol
LogP6.28
Rot. Bonds7

About 5-ethoxy-3-[(4-methylphenyl)methylamino]-2-phenoxybenzenediazonium

5-ethoxy-3-[(4-methylphenyl)methylamino]-2-phenoxybenzenediazonium (PubChem CID 21292593) has the molecular formula C22H22N3O2+ and a molecular weight of 360.44 g/mol. Its IUPAC name is 5-ethoxy-3-[(4-methylphenyl)methylamino]-2-phenoxybenzenediazonium.

Molecular Properties

Compound Name5-ethoxy-3-[(4-methylphenyl)methylamino]-2-phenoxybenzenediazonium
PubChem CID21292593
Molecular FormulaC22H22N3O2+
Molecular Weight360.44 g/mol
Exact Mass360.17
IUPAC Name5-ethoxy-3-[(4-methylphenyl)methylamino]-2-phenoxybenzenediazonium
SMILESCCOc1cc([N+]#N)c(Oc2ccccc2)c(NCc2ccc(C)cc2)c1
InChIInChI=1S/C22H22N3O2/c1-3-26-19-13-20(24-15-17-11-9-16(2)10-12-17)22(21(14-19)25-23)27-18-7-5-4-6-8-18/h4-14,24H,3,15H2,1-2H3/q+1
InChIKeyDTQCGCLAHRPXSI-UHFFFAOYSA-N
XLogP6.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.44
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-ethoxy-3-[(4-methylphenyl)methylamino]-2-phenoxybenzenediazonium 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-(benzylamino)-2,5-diethoxybenzenediazonium chloride
CID 21441178
N-[(3-ethoxyphenyl)methyl]-2,4-dimethylaniline
CID 39357473
N-[(4-methylphenyl)methyl]-2-(2-phenoxyethoxy)aniline
CID 54801070
N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126117506
5-methyl-2-phenoxybenzenediazonium
CID 10399706
N-benzyl-4-[4-(benzylamino)-3-ethoxyphenyl]-2-ethoxyaniline
CID 71722373
[4-[(4-ethoxy-2-methylanilino)methyl]phenyl]methanol
CID 110006558
2,5-dichloro-N-[(4-ethoxyphenyl)methyl]-4-methylaniline
CID 104726046
4-ethoxy-2-methyl-N-[(3-methylphenyl)methyl]aniline
CID 54865409
4-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
CID 126128892
N-benzyl-3-bromo-5-chloro-2-ethoxyaniline
CID 43690745
5-methoxy-N-[(4-methylsulfanylphenyl)methyl]-2-phenoxyaniline
CID 20504120

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-[(4-methylphenyl)methylamino]-2-phenoxybenzenediazonium?
The IUPAC name of 5-ethoxy-3-[(4-methylphenyl)methylamino]-2-phenoxybenzenediazonium (CID 21292593) is 5-ethoxy-3-[(4-methylphenyl)methylamino]-2-phenoxybenzenediazonium.
What is the SMILES notation for 5-ethoxy-3-[(4-methylphenyl)methylamino]-2-phenoxybenzenediazonium?
The canonical SMILES for 5-ethoxy-3-[(4-methylphenyl)methylamino]-2-phenoxybenzenediazonium is CCOc1cc([N+]#N)c(Oc2ccccc2)c(NCc2ccc(C)cc2)c1.
What is the InChIKey of 5-ethoxy-3-[(4-methylphenyl)methylamino]-2-phenoxybenzenediazonium?
The InChIKey is DTQCGCLAHRPXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N3O2/c1-3-26-19-13-20(24-15-17-11-9-16(2)10-12-17)22(21(14-19)25-23)27-18-7-5-4-6-8-18/h4-14,24H,3,15H2,1-2H3/q+1.
What are the key properties of 5-ethoxy-3-[(4-methylphenyl)methylamino]-2-phenoxybenzenediazonium?
5-ethoxy-3-[(4-methylphenyl)methylamino]-2-phenoxybenzenediazonium has a molecular weight of 360.44 g/mol, XLogP of 6.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-[(4-methylphenyl)methylamino]-2-phenoxybenzenediazonium is sourced from PubChem (CID 21292593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).