4-[1-(4-aminophenyl)ethylamino]benzonitrile

C15H15N3 — CID 60869452

IUPAC4-[1-(4-aminophenyl)ethylamino]benzonitrile
SMILESCC(Nc1ccc(C#N)cc1)c1ccc(N)cc1
InChIInChI=1S/C15H15N3/c1-11(13-4-6-14(17)7-5-13)18-15-8-2-12(10-16)3-9-15/h2-9,11,18H,17H2,1H3
InChIKeyZBCJINDTOLQRDM-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.31
Rot. Bonds3

About 4-[1-(4-aminophenyl)ethylamino]benzonitrile

4-[1-(4-aminophenyl)ethylamino]benzonitrile (PubChem CID 60869452) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 4-[1-(4-aminophenyl)ethylamino]benzonitrile.

Molecular Properties

Compound Name4-[1-(4-aminophenyl)ethylamino]benzonitrile
PubChem CID60869452
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name4-[1-(4-aminophenyl)ethylamino]benzonitrile
SMILESCC(Nc1ccc(C#N)cc1)c1ccc(N)cc1
InChIInChI=1S/C15H15N3/c1-11(13-4-6-14(17)7-5-13)18-15-8-2-12(10-16)3-9-15/h2-9,11,18H,17H2,1H3
InChIKeyZBCJINDTOLQRDM-UHFFFAOYSA-N
XLogP3.31
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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4-[1-(naphthalen-2-ylamino)ethyl]benzonitrile
CID 43680303
4-amino-N-[1-(4-cyanophenyl)ethyl]benzenesulfonamide
CID 61125319
4-[1-(3-methylphenyl)ethylamino]benzonitrile
CID 43763775
4-[1-(1H-pyrazol-4-ylamino)ethyl]benzonitrile
CID 43540037
4-[1-(3,5-dimethoxyanilino)ethyl]benzonitrile
CID 43192810
4-[1-(4-bromo-3-chloroanilino)ethyl]benzonitrile
CID 107618720
4-[1-[[6-(dimethylamino)-3-pyridinyl]amino]ethyl]benzonitrile
CID 43690575
4-amino(13C)benzonitrile
CID 10080388
4-[1-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]benzonitrile
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5-[1-(4-aminophenyl)ethylamino]-2-nitrobenzonitrile
CID 116650565

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-aminophenyl)ethylamino]benzonitrile?
The IUPAC name of 4-[1-(4-aminophenyl)ethylamino]benzonitrile (CID 60869452) is 4-[1-(4-aminophenyl)ethylamino]benzonitrile.
What is the SMILES notation for 4-[1-(4-aminophenyl)ethylamino]benzonitrile?
The canonical SMILES for 4-[1-(4-aminophenyl)ethylamino]benzonitrile is CC(Nc1ccc(C#N)cc1)c1ccc(N)cc1.
What is the InChIKey of 4-[1-(4-aminophenyl)ethylamino]benzonitrile?
The InChIKey is ZBCJINDTOLQRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-11(13-4-6-14(17)7-5-13)18-15-8-2-12(10-16)3-9-15/h2-9,11,18H,17H2,1H3.
What are the key properties of 4-[1-(4-aminophenyl)ethylamino]benzonitrile?
4-[1-(4-aminophenyl)ethylamino]benzonitrile has a molecular weight of 237.31 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-aminophenyl)ethylamino]benzonitrile is sourced from PubChem (CID 60869452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).