2-[4-(anilinomethyl)phenyl]benzonitrile

C20H16N2 — CID 127048312

IUPAC2-[4-(anilinomethyl)phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc(CNc2ccccc2)cc1
InChIInChI=1S/C20H16N2/c21-14-18-6-4-5-9-20(18)17-12-10-16(11-13-17)15-22-19-7-2-1-3-8-19/h1-13,22H,15H2
InChIKeyYHVIUICNKRVEBZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.84
Rot. Bonds4

About 2-[4-(anilinomethyl)phenyl]benzonitrile

2-[4-(anilinomethyl)phenyl]benzonitrile (PubChem CID 127048312) has the molecular formula C20H16N2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[4-(anilinomethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-[4-(anilinomethyl)phenyl]benzonitrile
PubChem CID127048312
Molecular FormulaC20H16N2
Molecular Weight284.36 g/mol
Exact Mass284.13
IUPAC Name2-[4-(anilinomethyl)phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc(CNc2ccccc2)cc1
InChIInChI=1S/C20H16N2/c21-14-18-6-4-5-9-20(18)17-12-10-16(11-13-17)15-22-19-7-2-1-3-8-19/h1-13,22H,15H2
InChIKeyYHVIUICNKRVEBZ-UHFFFAOYSA-N
XLogP4.84
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Benzylamino)benzonitrile
CID 324787
alpha,alpha'-Dianilino-p-xylene
CID 607368
4-Anilino-1-benzylpiperidine-4-carbonitrile
CID 70412
Stk366646
CID 828001
US9205085, Msx-183
CID 23656597
alpha,Alphapr-(4-ethylanilino)-P-xylene
CID 328731
1,2-Benzenedimethanamine, N,N'-diphenyl-
CID 606964
4-methyl-N-[4-(4-toluidinomethyl)benzyl]aniline
CID 3313778
N-(4-{[3-(trifluoromethyl)anilino]methyl}benzyl)-N-[3-(trifluoromethyl)phenyl]amine
CID 4225968
alpha,alpha'-Bis(4-fluoroanilino)-P-xylene
CID 5218952
N,2-Diphenylglycinonitrile
CID 345685
N-(Alpha-allylbenzyl)aniline
CID 478545

Frequently Asked Questions

What is the IUPAC name of 2-[4-(anilinomethyl)phenyl]benzonitrile?
The IUPAC name of 2-[4-(anilinomethyl)phenyl]benzonitrile (CID 127048312) is 2-[4-(anilinomethyl)phenyl]benzonitrile.
What is the SMILES notation for 2-[4-(anilinomethyl)phenyl]benzonitrile?
The canonical SMILES for 2-[4-(anilinomethyl)phenyl]benzonitrile is N#Cc1ccccc1-c1ccc(CNc2ccccc2)cc1.
What is the InChIKey of 2-[4-(anilinomethyl)phenyl]benzonitrile?
The InChIKey is YHVIUICNKRVEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2/c21-14-18-6-4-5-9-20(18)17-12-10-16(11-13-17)15-22-19-7-2-1-3-8-19/h1-13,22H,15H2.
What are the key properties of 2-[4-(anilinomethyl)phenyl]benzonitrile?
2-[4-(anilinomethyl)phenyl]benzonitrile has a molecular weight of 284.36 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(anilinomethyl)phenyl]benzonitrile is sourced from PubChem (CID 127048312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).