2-(2-aminophenyl)-2-methylpropanenitrile

C10H12N2 — CID 59934957

IUPAC2-(2-aminophenyl)-2-methylpropanenitrile
SMILESCC(C)(C#N)c1ccccc1N
InChIInChI=1S/C10H12N2/c1-10(2,7-11)8-5-3-4-6-9(8)12/h3-6H,12H2,1-2H3
InChIKeyUGRUQWUBYMBZKU-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.07
Rot. Bonds1

About 2-(2-aminophenyl)-2-methylpropanenitrile

2-(2-aminophenyl)-2-methylpropanenitrile (PubChem CID 59934957) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-(2-aminophenyl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(2-aminophenyl)-2-methylpropanenitrile
PubChem CID59934957
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name2-(2-aminophenyl)-2-methylpropanenitrile
SMILESCC(C)(C#N)c1ccccc1N
InChIInChI=1S/C10H12N2/c1-10(2,7-11)8-5-3-4-6-9(8)12/h3-6H,12H2,1-2H3
InChIKeyUGRUQWUBYMBZKU-UHFFFAOYSA-N
XLogP2.07
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.07
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)-2-methylpropanenitrile?
The IUPAC name of 2-(2-aminophenyl)-2-methylpropanenitrile (CID 59934957) is 2-(2-aminophenyl)-2-methylpropanenitrile.
What is the SMILES notation for 2-(2-aminophenyl)-2-methylpropanenitrile?
The canonical SMILES for 2-(2-aminophenyl)-2-methylpropanenitrile is CC(C)(C#N)c1ccccc1N.
What is the InChIKey of 2-(2-aminophenyl)-2-methylpropanenitrile?
The InChIKey is UGRUQWUBYMBZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-10(2,7-11)8-5-3-4-6-9(8)12/h3-6H,12H2,1-2H3.
What are the key properties of 2-(2-aminophenyl)-2-methylpropanenitrile?
2-(2-aminophenyl)-2-methylpropanenitrile has a molecular weight of 160.22 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-2-methylpropanenitrile is sourced from PubChem (CID 59934957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).