4-(N-methylanilino)benzonitrile

C14H12N2 — CID 10219937

IUPAC4-(N-methylanilino)benzonitrile
SMILESCN(c1ccccc1)c1ccc(C#N)cc1
InChIInChI=1S/C14H12N2/c1-16(13-5-3-2-4-6-13)14-9-7-12(11-15)8-10-14/h2-10H,1H3
InChIKeyZAHZSQPRNHALQB-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.33
Rot. Bonds2

About 4-(N-methylanilino)benzonitrile

4-(N-methylanilino)benzonitrile (PubChem CID 10219937) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(N-methylanilino)benzonitrile.

Molecular Properties

Compound Name4-(N-methylanilino)benzonitrile
PubChem CID10219937
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name4-(N-methylanilino)benzonitrile
SMILESCN(c1ccccc1)c1ccc(C#N)cc1
InChIInChI=1S/C14H12N2/c1-16(13-5-3-2-4-6-13)14-9-7-12(11-15)8-10-14/h2-10H,1H3
InChIKeyZAHZSQPRNHALQB-UHFFFAOYSA-N
XLogP3.33
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(N-methylanilino)benzonitrile?
The IUPAC name of 4-(N-methylanilino)benzonitrile (CID 10219937) is 4-(N-methylanilino)benzonitrile.
What is the SMILES notation for 4-(N-methylanilino)benzonitrile?
The canonical SMILES for 4-(N-methylanilino)benzonitrile is CN(c1ccccc1)c1ccc(C#N)cc1.
What is the InChIKey of 4-(N-methylanilino)benzonitrile?
The InChIKey is ZAHZSQPRNHALQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-16(13-5-3-2-4-6-13)14-9-7-12(11-15)8-10-14/h2-10H,1H3.
What are the key properties of 4-(N-methylanilino)benzonitrile?
4-(N-methylanilino)benzonitrile has a molecular weight of 208.26 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-methylanilino)benzonitrile is sourced from PubChem (CID 10219937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).