2-(dibenzylamino)benzonitrile

C21H18N2 — CID 83779732

IUPAC2-(dibenzylamino)benzonitrile
SMILESN#Cc1ccccc1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H18N2/c22-15-20-13-7-8-14-21(20)23(16-18-9-3-1-4-10-18)17-19-11-5-2-6-12-19/h1-14H,16-17H2
InChIKeyPKMKUBRWQMJUDN-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.77
Rot. Bonds5

About 2-(dibenzylamino)benzonitrile

2-(dibenzylamino)benzonitrile (PubChem CID 83779732) has the molecular formula C21H18N2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(dibenzylamino)benzonitrile.

Molecular Properties

Compound Name2-(dibenzylamino)benzonitrile
PubChem CID83779732
Molecular FormulaC21H18N2
Molecular Weight298.39 g/mol
Exact Mass298.15
IUPAC Name2-(dibenzylamino)benzonitrile
SMILESN#Cc1ccccc1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H18N2/c22-15-20-13-7-8-14-21(20)23(16-18-9-3-1-4-10-18)17-19-11-5-2-6-12-19/h1-14H,16-17H2
InChIKeyPKMKUBRWQMJUDN-UHFFFAOYSA-N
XLogP4.77
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[benzyl(propan-2-yl)amino]benzonitrile
CID 29273370
2-(dibenzylamino)-5-phenylmethoxybenzonitrile
CID 170987093
2-[bis(2-cyanoethyl)amino]benzonitrile
CID 59557664
2-[ethyl(propyl)amino]benzonitrile
CID 43268868
2-[benzyl(2-hydroxyethyl)amino]-4-bromobenzonitrile
CID 114901754
2-N,2-N-dibenzylbenzene-1,2-diamine
CID 23459358
2-[methyl(pyridin-4-ylmethyl)amino]benzonitrile
CID 43420438
3-[N-(carboxymethyl)-2-cyanoanilino]propanoic acid
CID 82317017
N,N-bis(2-cyanophenyl)-3-phenylpropanamide
CID 102310054
2-[(2-aminophenyl)methyl-ethylamino]benzonitrile
CID 60877021
2-(N-acetyl-2-cyanoanilino)-N-benzyl-N-methylacetamide
CID 113180655
2-[3-aminopropyl(benzyl)amino]-5-fluorobenzonitrile
CID 107368100

Frequently Asked Questions

What is the IUPAC name of 2-(dibenzylamino)benzonitrile?
The IUPAC name of 2-(dibenzylamino)benzonitrile (CID 83779732) is 2-(dibenzylamino)benzonitrile.
What is the SMILES notation for 2-(dibenzylamino)benzonitrile?
The canonical SMILES for 2-(dibenzylamino)benzonitrile is N#Cc1ccccc1N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-(dibenzylamino)benzonitrile?
The InChIKey is PKMKUBRWQMJUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2/c22-15-20-13-7-8-14-21(20)23(16-18-9-3-1-4-10-18)17-19-11-5-2-6-12-19/h1-14H,16-17H2.
What are the key properties of 2-(dibenzylamino)benzonitrile?
2-(dibenzylamino)benzonitrile has a molecular weight of 298.39 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzylamino)benzonitrile is sourced from PubChem (CID 83779732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).