2-(2-aminophenyl)propanenitrile

C9H10N2 — CID 20509311

IUPAC2-(2-aminophenyl)propanenitrile
SMILESCC(C#N)c1ccccc1N
InChIInChI=1S/C9H10N2/c1-7(6-10)8-4-2-3-5-9(8)11/h2-5,7H,11H2,1H3
InChIKeyLWDKLSHFLTYDNR-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.90
Rot. Bonds1

About 2-(2-aminophenyl)propanenitrile

2-(2-aminophenyl)propanenitrile (PubChem CID 20509311) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-(2-aminophenyl)propanenitrile.

Molecular Properties

Compound Name2-(2-aminophenyl)propanenitrile
PubChem CID20509311
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name2-(2-aminophenyl)propanenitrile
SMILESCC(C#N)c1ccccc1N
InChIInChI=1S/C9H10N2/c1-7(6-10)8-4-2-3-5-9(8)11/h2-5,7H,11H2,1H3
InChIKeyLWDKLSHFLTYDNR-UHFFFAOYSA-N
XLogP1.90
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)propanenitrile?
The IUPAC name of 2-(2-aminophenyl)propanenitrile (CID 20509311) is 2-(2-aminophenyl)propanenitrile.
What is the SMILES notation for 2-(2-aminophenyl)propanenitrile?
The canonical SMILES for 2-(2-aminophenyl)propanenitrile is CC(C#N)c1ccccc1N.
What is the InChIKey of 2-(2-aminophenyl)propanenitrile?
The InChIKey is LWDKLSHFLTYDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-7(6-10)8-4-2-3-5-9(8)11/h2-5,7H,11H2,1H3.
What are the key properties of 2-(2-aminophenyl)propanenitrile?
2-(2-aminophenyl)propanenitrile has a molecular weight of 146.19 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)propanenitrile is sourced from PubChem (CID 20509311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).