4-amino-2-(2-methylphenyl)benzonitrile

C14H12N2 — CID 70133478

IUPAC4-amino-2-(2-methylphenyl)benzonitrile
SMILESCc1ccccc1-c1cc(N)ccc1C#N
InChIInChI=1S/C14H12N2/c1-10-4-2-3-5-13(10)14-8-12(16)7-6-11(14)9-15/h2-8H,16H2,1H3
InChIKeyPHNKXHLNRSZFMO-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.12
Rot. Bonds1

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

4-amino-2-(2-methylphenyl)benzonitrile (PubChem CID 70133478) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-amino-2-(2-methylphenyl)benzonitrile.

Molecular Properties

Compound Name4-amino-2-(2-methylphenyl)benzonitrile
PubChem CID70133478
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name4-amino-2-(2-methylphenyl)benzonitrile
SMILESCc1ccccc1-c1cc(N)ccc1C#N
InChIInChI=1S/C14H12N2/c1-10-4-2-3-5-13(10)14-8-12(16)7-6-11(14)9-15/h2-8H,16H2,1H3
InChIKeyPHNKXHLNRSZFMO-UHFFFAOYSA-N
XLogP3.12
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.12
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 4-amino-2-(2-methylphenyl)benzonitrile?
The IUPAC name of 4-amino-2-(2-methylphenyl)benzonitrile (CID 70133478) is 4-amino-2-(2-methylphenyl)benzonitrile.
What is the SMILES notation for 4-amino-2-(2-methylphenyl)benzonitrile?
The canonical SMILES for 4-amino-2-(2-methylphenyl)benzonitrile is Cc1ccccc1-c1cc(N)ccc1C#N.
What is the InChIKey of 4-amino-2-(2-methylphenyl)benzonitrile?
The InChIKey is PHNKXHLNRSZFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-10-4-2-3-5-13(10)14-8-12(16)7-6-11(14)9-15/h2-8H,16H2,1H3.
What are the key properties of 4-amino-2-(2-methylphenyl)benzonitrile?
4-amino-2-(2-methylphenyl)benzonitrile has a molecular weight of 208.26 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-methylphenyl)benzonitrile is sourced from PubChem (CID 70133478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).