4-[4-[(2-phenylhydrazinyl)methyl]phenoxy]butanenitrile

C17H19N3O — CID 169386261

IUPAC4-[4-[(2-phenylhydrazinyl)methyl]phenoxy]butanenitrile
SMILESN#CCCCOc1ccc(CNNc2ccccc2)cc1
InChIInChI=1S/C17H19N3O/c18-12-4-5-13-21-17-10-8-15(9-11-17)14-19-20-16-6-2-1-3-7-16/h1-3,6-11,19-20H,4-5,13-14H2
InChIKeyOKNJYDIADQCFNF-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.49
Rot. Bonds8

About 4-[4-[(2-phenylhydrazinyl)methyl]phenoxy]butanenitrile

4-[4-[(2-phenylhydrazinyl)methyl]phenoxy]butanenitrile (PubChem CID 169386261) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-[4-[(2-phenylhydrazinyl)methyl]phenoxy]butanenitrile.

Molecular Properties

Compound Name4-[4-[(2-phenylhydrazinyl)methyl]phenoxy]butanenitrile
PubChem CID169386261
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name4-[4-[(2-phenylhydrazinyl)methyl]phenoxy]butanenitrile
SMILESN#CCCCOc1ccc(CNNc2ccccc2)cc1
InChIInChI=1S/C17H19N3O/c18-12-4-5-13-21-17-10-8-15(9-11-17)14-19-20-16-6-2-1-3-7-16/h1-3,6-11,19-20H,4-5,13-14H2
InChIKeyOKNJYDIADQCFNF-UHFFFAOYSA-N
XLogP3.49
TPSA57.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[4-[(2-phenylhydrazinyl)methyl]phenoxy]butanenitrile 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-bromo-2-[(2-phenylhydrazinyl)methyl]phenoxy]butanenitrile
CID 169386228
4-[4-(propylaminomethyl)phenoxy]butanenitrile
CID 60878188
1-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine
CID 169385676
1-[[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methyl]-2-phenylhydrazine
CID 169385485
4-(3-phenoxypropylamino)butanenitrile
CID 60696999
7-[4-[10-[4-(6-cyanohexoxy)phenoxy]decoxy]phenoxy]heptanenitrile
CID 102361526
5-(3-phenoxypropylamino)pentanenitrile
CID 60697093
1-[(4-chlorophenyl)methyl]-2-phenylhydrazine
CID 70410939
methyl 4-[[4-[(2-phenylhydrazinyl)methyl]phenoxy]methyl]benzoate
CID 169385691
5-[4-(chloromethyl)phenoxy]pentanenitrile;triphenylphosphane
CID 88504537
3-[4-[7-[4-(2-cyanoethyl)phenoxy]heptoxy]phenyl]propanenitrile
CID 67069748
4-[3-(benzylamino)propoxy]butanenitrile
CID 114782907

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-phenylhydrazinyl)methyl]phenoxy]butanenitrile?
The IUPAC name of 4-[4-[(2-phenylhydrazinyl)methyl]phenoxy]butanenitrile (CID 169386261) is 4-[4-[(2-phenylhydrazinyl)methyl]phenoxy]butanenitrile.
What is the SMILES notation for 4-[4-[(2-phenylhydrazinyl)methyl]phenoxy]butanenitrile?
The canonical SMILES for 4-[4-[(2-phenylhydrazinyl)methyl]phenoxy]butanenitrile is N#CCCCOc1ccc(CNNc2ccccc2)cc1.
What is the InChIKey of 4-[4-[(2-phenylhydrazinyl)methyl]phenoxy]butanenitrile?
The InChIKey is OKNJYDIADQCFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c18-12-4-5-13-21-17-10-8-15(9-11-17)14-19-20-16-6-2-1-3-7-16/h1-3,6-11,19-20H,4-5,13-14H2.
What are the key properties of 4-[4-[(2-phenylhydrazinyl)methyl]phenoxy]butanenitrile?
4-[4-[(2-phenylhydrazinyl)methyl]phenoxy]butanenitrile has a molecular weight of 281.36 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-phenylhydrazinyl)methyl]phenoxy]butanenitrile is sourced from PubChem (CID 169386261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).