4-(anilinomethyl)benzonitrile

C14H12N2 — CID 11148468

IUPAC4-(anilinomethyl)benzonitrile
SMILESN#Cc1ccc(CNc2ccccc2)cc1
InChIInChI=1S/C14H12N2/c15-10-12-6-8-13(9-7-12)11-16-14-4-2-1-3-5-14/h1-9,16H,11H2
InChIKeyCCFYKRDGPNVIIG-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.17
Rot. Bonds3

About 4-(anilinomethyl)benzonitrile

4-(anilinomethyl)benzonitrile (PubChem CID 11148468) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(anilinomethyl)benzonitrile.

Molecular Properties

Compound Name4-(anilinomethyl)benzonitrile
PubChem CID11148468
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name4-(anilinomethyl)benzonitrile
SMILESN#Cc1ccc(CNc2ccccc2)cc1
InChIInChI=1S/C14H12N2/c15-10-12-6-8-13(9-7-12)11-16-14-4-2-1-3-5-14/h1-9,16H,11H2
InChIKeyCCFYKRDGPNVIIG-UHFFFAOYSA-N
XLogP3.17
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-hydroxyanilino)methyl]benzonitrile
CID 43742708
4-[(4-fluorophenyl)methylamino]benzonitrile
CID 22353725
N-[(4-ethynylphenyl)methyl]aniline
CID 102397569
CID 163931246
CID 163931246
N-[(4-phenylphenyl)methyl]aniline
CID 10658964
4-[[3-(methoxymethyl)anilino]methyl]benzonitrile
CID 43672139
N-[(4-cyanophenyl)methyl]-N'-phenyloxamide
CID 166188116
4-[(3-pyrrolidin-1-ylanilino)methyl]benzonitrile
CID 60942190
methyl 4-[(4-cyanophenyl)methylamino]benzoate
CID 43087792
4-[(3-iodophenyl)methylamino]benzonitrile
CID 114282750
4-[[(4-cyanophenyl)methylamino]methyl]benzonitrile;hydrochloride
CID 44629811
N-[[4-(anilinomethyl)phenyl]methyl]pyridin-4-amine
CID 167597738

Frequently Asked Questions

What is the IUPAC name of 4-(anilinomethyl)benzonitrile?
The IUPAC name of 4-(anilinomethyl)benzonitrile (CID 11148468) is 4-(anilinomethyl)benzonitrile.
What is the SMILES notation for 4-(anilinomethyl)benzonitrile?
The canonical SMILES for 4-(anilinomethyl)benzonitrile is N#Cc1ccc(CNc2ccccc2)cc1.
What is the InChIKey of 4-(anilinomethyl)benzonitrile?
The InChIKey is CCFYKRDGPNVIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c15-10-12-6-8-13(9-7-12)11-16-14-4-2-1-3-5-14/h1-9,16H,11H2.
What are the key properties of 4-(anilinomethyl)benzonitrile?
4-(anilinomethyl)benzonitrile has a molecular weight of 208.26 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(anilinomethyl)benzonitrile is sourced from PubChem (CID 11148468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).