2-(4-amino-2-methylphenyl)-2-phenylacetonitrile

C15H14N2 — CID 134112838

IUPAC2-(4-amino-2-methylphenyl)-2-phenylacetonitrile
SMILESCc1cc(N)ccc1C(C#N)c1ccccc1
InChIInChI=1S/C15H14N2/c1-11-9-13(17)7-8-14(11)15(10-16)12-5-3-2-4-6-12/h2-9,15H,17H2,1H3
InChIKeyTWRSLJHXMTYSMB-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.23
Rot. Bonds2

About 2-(4-amino-2-methylphenyl)-2-phenylacetonitrile

2-(4-amino-2-methylphenyl)-2-phenylacetonitrile (PubChem CID 134112838) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(4-amino-2-methylphenyl)-2-phenylacetonitrile.

Molecular Properties

Compound Name2-(4-amino-2-methylphenyl)-2-phenylacetonitrile
PubChem CID134112838
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name2-(4-amino-2-methylphenyl)-2-phenylacetonitrile
SMILESCc1cc(N)ccc1C(C#N)c1ccccc1
InChIInChI=1S/C15H14N2/c1-11-9-13(17)7-8-14(11)15(10-16)12-5-3-2-4-6-12/h2-9,15H,17H2,1H3
InChIKeyTWRSLJHXMTYSMB-UHFFFAOYSA-N
XLogP3.23
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.23
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-(4-amino-2-methylphenyl)-2-phenylacetonitrile?
The IUPAC name of 2-(4-amino-2-methylphenyl)-2-phenylacetonitrile (CID 134112838) is 2-(4-amino-2-methylphenyl)-2-phenylacetonitrile.
What is the SMILES notation for 2-(4-amino-2-methylphenyl)-2-phenylacetonitrile?
The canonical SMILES for 2-(4-amino-2-methylphenyl)-2-phenylacetonitrile is Cc1cc(N)ccc1C(C#N)c1ccccc1.
What is the InChIKey of 2-(4-amino-2-methylphenyl)-2-phenylacetonitrile?
The InChIKey is TWRSLJHXMTYSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-11-9-13(17)7-8-14(11)15(10-16)12-5-3-2-4-6-12/h2-9,15H,17H2,1H3.
What are the key properties of 2-(4-amino-2-methylphenyl)-2-phenylacetonitrile?
2-(4-amino-2-methylphenyl)-2-phenylacetonitrile has a molecular weight of 222.29 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-methylphenyl)-2-phenylacetonitrile is sourced from PubChem (CID 134112838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).