4-(2-anilinoethoxy)benzonitrile

C15H14N2O — CID 134030846

IUPAC4-(2-anilinoethoxy)benzonitrile
SMILESN#Cc1ccc(OCCNc2ccccc2)cc1
InChIInChI=1S/C15H14N2O/c16-12-13-6-8-15(9-7-13)18-11-10-17-14-4-2-1-3-5-14/h1-9,17H,10-11H2
InChIKeyUEDMTIPZGCOJAJ-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.05
Rot. Bonds5

About 4-(2-anilinoethoxy)benzonitrile

4-(2-anilinoethoxy)benzonitrile (PubChem CID 134030846) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-(2-anilinoethoxy)benzonitrile.

Molecular Properties

Compound Name4-(2-anilinoethoxy)benzonitrile
PubChem CID134030846
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name4-(2-anilinoethoxy)benzonitrile
SMILESN#Cc1ccc(OCCNc2ccccc2)cc1
InChIInChI=1S/C15H14N2O/c16-12-13-6-8-15(9-7-13)18-11-10-17-14-4-2-1-3-5-14/h1-9,17H,10-11H2
InChIKeyUEDMTIPZGCOJAJ-UHFFFAOYSA-N
XLogP3.05
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-fluoroanilino)ethoxy]benzonitrile
CID 134030965
N-[2-(4-ethylphenoxy)ethyl]aniline
CID 54796136
4-[2-(methylamino)ethoxy]benzonitrile;hydrochloride
CID 146277545
4-methoxy-N-(2-phenoxyethyl)aniline
CID 39347663
N-(2-phenoxyethyl)-4-propoxyaniline
CID 54799062
methyl 2-[2-(4-cyanophenoxy)ethylamino]benzoate
CID 55433295
4-(anilinomethyl)benzonitrile
CID 11148468
4-[2-(2-aminoethylamino)ethoxy]benzonitrile
CID 69276381
CID 178054253
CID 178054253
3-(4-cyanoanilino)propyl benzenesulfonate
CID 11267061
6-(2-phenoxyethylamino)pyridazine-3-carbonitrile
CID 163348040
N-[2-[4-(4-aminobutyl)phenoxy]ethyl]aniline
CID 21031130

Frequently Asked Questions

What is the IUPAC name of 4-(2-anilinoethoxy)benzonitrile?
The IUPAC name of 4-(2-anilinoethoxy)benzonitrile (CID 134030846) is 4-(2-anilinoethoxy)benzonitrile.
What is the SMILES notation for 4-(2-anilinoethoxy)benzonitrile?
The canonical SMILES for 4-(2-anilinoethoxy)benzonitrile is N#Cc1ccc(OCCNc2ccccc2)cc1.
What is the InChIKey of 4-(2-anilinoethoxy)benzonitrile?
The InChIKey is UEDMTIPZGCOJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c16-12-13-6-8-15(9-7-13)18-11-10-17-14-4-2-1-3-5-14/h1-9,17H,10-11H2.
What are the key properties of 4-(2-anilinoethoxy)benzonitrile?
4-(2-anilinoethoxy)benzonitrile has a molecular weight of 238.29 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-anilinoethoxy)benzonitrile is sourced from PubChem (CID 134030846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).