4-[2-(2-aminoethylamino)ethoxy]benzonitrile

C11H15N3O — CID 69276381

IUPAC4-[2-(2-aminoethylamino)ethoxy]benzonitrile
SMILESN#Cc1ccc(OCCNCCN)cc1
InChIInChI=1S/C11H15N3O/c12-5-6-14-7-8-15-11-3-1-10(9-13)2-4-11/h1-4,14H,5-8,12H2
InChIKeyRUHFSOVMVDKUOX-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.49
Rot. Bonds6

About 4-[2-(2-aminoethylamino)ethoxy]benzonitrile

4-[2-(2-aminoethylamino)ethoxy]benzonitrile (PubChem CID 69276381) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-[2-(2-aminoethylamino)ethoxy]benzonitrile.

Molecular Properties

Compound Name4-[2-(2-aminoethylamino)ethoxy]benzonitrile
PubChem CID69276381
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name4-[2-(2-aminoethylamino)ethoxy]benzonitrile
SMILESN#Cc1ccc(OCCNCCN)cc1
InChIInChI=1S/C11H15N3O/c12-5-6-14-7-8-15-11-3-1-10(9-13)2-4-11/h1-4,14H,5-8,12H2
InChIKeyRUHFSOVMVDKUOX-UHFFFAOYSA-N
XLogP0.49
TPSA71.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(4-aminobutoxy)phenyl]benzonitrile
CID 19035301
4-[2-(methylamino)ethoxy]benzonitrile;hydrochloride
CID 146277545
ethyl 4-[2-(4-cyanophenoxy)ethylamino]butanoate
CID 60687882
4-[3-[2-[3-(4-cyanophenoxy)propyl-propan-2-ylamino]ethylamino]propoxy]benzonitrile
CID 142802588
CID 88918404
CID 88918404
4-[4-[7-[4-[4-[7-[4-(4-cyanophenyl)phenoxy]heptoxy]phenyl]phenoxy]heptoxy]phenyl]benzonitrile
CID 15322371
4-(2-anilinoethoxy)benzonitrile
CID 134030846
4-[3-(5-chloro-2-fluoroanilino)propoxy]benzonitrile
CID 52702907
N'-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]ethane-1,2-diamine
CID 2280947
4-[2-(4-fluoroanilino)ethoxy]benzonitrile
CID 134030965
6-(4-aminobutoxy)naphthalene-2-carbonitrile
CID 71373025
4-[2-(cyclopentylamino)ethoxy]benzonitrile
CID 2199873

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminoethylamino)ethoxy]benzonitrile?
The IUPAC name of 4-[2-(2-aminoethylamino)ethoxy]benzonitrile (CID 69276381) is 4-[2-(2-aminoethylamino)ethoxy]benzonitrile.
What is the SMILES notation for 4-[2-(2-aminoethylamino)ethoxy]benzonitrile?
The canonical SMILES for 4-[2-(2-aminoethylamino)ethoxy]benzonitrile is N#Cc1ccc(OCCNCCN)cc1.
What is the InChIKey of 4-[2-(2-aminoethylamino)ethoxy]benzonitrile?
The InChIKey is RUHFSOVMVDKUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c12-5-6-14-7-8-15-11-3-1-10(9-13)2-4-11/h1-4,14H,5-8,12H2.
What are the key properties of 4-[2-(2-aminoethylamino)ethoxy]benzonitrile?
4-[2-(2-aminoethylamino)ethoxy]benzonitrile has a molecular weight of 205.26 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-aminoethylamino)ethoxy]benzonitrile is sourced from PubChem (CID 69276381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).