3-[(dibenzylamino)methyl]benzonitrile

C22H20N2 — CID 39161516

IUPAC3-[(dibenzylamino)methyl]benzonitrile
SMILESN#Cc1cccc(CN(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C22H20N2/c23-15-21-12-7-13-22(14-21)18-24(16-19-8-3-1-4-9-19)17-20-10-5-2-6-11-20/h1-14H,16-18H2
InChIKeyQNHRSUVMBZCGFE-UHFFFAOYSA-N
MW312.42 g/mol
LogP4.76
Rot. Bonds6

About 3-[(dibenzylamino)methyl]benzonitrile

3-[(dibenzylamino)methyl]benzonitrile (PubChem CID 39161516) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 3-[(dibenzylamino)methyl]benzonitrile.

Molecular Properties

Compound Name3-[(dibenzylamino)methyl]benzonitrile
PubChem CID39161516
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC Name3-[(dibenzylamino)methyl]benzonitrile
SMILESN#Cc1cccc(CN(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C22H20N2/c23-15-21-12-7-13-22(14-21)18-24(16-19-8-3-1-4-9-19)17-20-10-5-2-6-11-20/h1-14H,16-18H2
InChIKeyQNHRSUVMBZCGFE-UHFFFAOYSA-N
XLogP4.76
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-aminoethyl(benzyl)amino]methyl]benzonitrile
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N,N-dibenzylpropan-1-amine;3-methylbenzonitrile
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3-[[methyl(2-phenylethyl)amino]methyl]benzonitrile
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3-[[2-(dimethylamino)ethyl-ethylamino]methyl]benzonitrile
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3-[[N-(2-cyanoethyl)anilino]methyl]benzonitrile
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2-[(3-cyanophenyl)methyl-[2-(dimethylamino)ethyl]amino]acetic acid
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CID 47161976
3-[[(4-iodophenyl)methyl-methylamino]methyl]benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 3-[(dibenzylamino)methyl]benzonitrile?
The IUPAC name of 3-[(dibenzylamino)methyl]benzonitrile (CID 39161516) is 3-[(dibenzylamino)methyl]benzonitrile.
What is the SMILES notation for 3-[(dibenzylamino)methyl]benzonitrile?
The canonical SMILES for 3-[(dibenzylamino)methyl]benzonitrile is N#Cc1cccc(CN(Cc2ccccc2)Cc2ccccc2)c1.
What is the InChIKey of 3-[(dibenzylamino)methyl]benzonitrile?
The InChIKey is QNHRSUVMBZCGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2/c23-15-21-12-7-13-22(14-21)18-24(16-19-8-3-1-4-9-19)17-20-10-5-2-6-11-20/h1-14H,16-18H2.
What are the key properties of 3-[(dibenzylamino)methyl]benzonitrile?
3-[(dibenzylamino)methyl]benzonitrile has a molecular weight of 312.42 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dibenzylamino)methyl]benzonitrile is sourced from PubChem (CID 39161516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).