4-(4-aminophenyl)-2-methylbenzonitrile

C14H12N2 — CID 142273516

IUPAC4-(4-aminophenyl)-2-methylbenzonitrile
SMILESCc1cc(-c2ccc(N)cc2)ccc1C#N
InChIInChI=1S/C14H12N2/c1-10-8-12(2-3-13(10)9-15)11-4-6-14(16)7-5-11/h2-8H,16H2,1H3
InChIKeyMXUNULRWPCEACM-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.12
Rot. Bonds1

About 4-(4-aminophenyl)-2-methylbenzonitrile

4-(4-aminophenyl)-2-methylbenzonitrile (PubChem CID 142273516) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(4-aminophenyl)-2-methylbenzonitrile.

Molecular Properties

Compound Name4-(4-aminophenyl)-2-methylbenzonitrile
PubChem CID142273516
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name4-(4-aminophenyl)-2-methylbenzonitrile
SMILESCc1cc(-c2ccc(N)cc2)ccc1C#N
InChIInChI=1S/C14H12N2/c1-10-8-12(2-3-13(10)9-15)11-4-6-14(16)7-5-11/h2-8H,16H2,1H3
InChIKeyMXUNULRWPCEACM-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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Related Compounds

4-(4-hydroxy-3-methylphenyl)-2-methylbenzonitrile
CID 141464869
4-(5-amino-1,3-benzothiazol-2-yl)-2-methylbenzonitrile
CID 23302890
5-(3,4-dimethylphenyl)-2-methylbenzonitrile
CID 138665963
2-methyl-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 134627253
4-[4-[4-(3,4-dicyanophenyl)phenyl]phenyl]benzene-1,2-dicarbonitrile
CID 21219307
4-(4-aminophenyl)-2,6-dimethylaniline;hydrochloride
CID 172858062
5-(4-aminophenyl)-2-methylaniline
CID 68788638
4-(4-bromo-2-methylphenyl)-2-methylbenzonitrile
CID 151004170
4-(4-aminophenyl)-2-methylaniline;isocyanic acid
CID 175201800
2-amino-4-(4-fluorophenyl)benzonitrile;ethane
CID 143899726
4-(5-amino-1,3-dihydroisoindol-2-yl)-2-methylbenzonitrile
CID 81277086
4-amino-7-oxocyclohepta-1,3,5-triene-1-carbonitrile
CID 143216798

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-2-methylbenzonitrile?
The IUPAC name of 4-(4-aminophenyl)-2-methylbenzonitrile (CID 142273516) is 4-(4-aminophenyl)-2-methylbenzonitrile.
What is the SMILES notation for 4-(4-aminophenyl)-2-methylbenzonitrile?
The canonical SMILES for 4-(4-aminophenyl)-2-methylbenzonitrile is Cc1cc(-c2ccc(N)cc2)ccc1C#N.
What is the InChIKey of 4-(4-aminophenyl)-2-methylbenzonitrile?
The InChIKey is MXUNULRWPCEACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-10-8-12(2-3-13(10)9-15)11-4-6-14(16)7-5-11/h2-8H,16H2,1H3.
What are the key properties of 4-(4-aminophenyl)-2-methylbenzonitrile?
4-(4-aminophenyl)-2-methylbenzonitrile 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-(4-aminophenyl)-2-methylbenzonitrile is sourced from PubChem (CID 142273516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).