2-[(2,3-dichlorophenyl)methyl-methylamino]benzonitrile

C15H12Cl2N2 — CID 103604235

IUPAC2-[(2,3-dichlorophenyl)methyl-methylamino]benzonitrile
SMILESCN(Cc1cccc(Cl)c1Cl)c1ccccc1C#N
InChIInChI=1S/C15H12Cl2N2/c1-19(14-8-3-2-5-11(14)9-18)10-12-6-4-7-13(16)15(12)17/h2-8H,10H2,1H3
InChIKeyRIIMEEFZNWUPJR-UHFFFAOYSA-N
MW291.18 g/mol
LogP4.50
Rot. Bonds3

About 2-[(2,3-dichlorophenyl)methyl-methylamino]benzonitrile

2-[(2,3-dichlorophenyl)methyl-methylamino]benzonitrile (PubChem CID 103604235) has the molecular formula C15H12Cl2N2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenyl)methyl-methylamino]benzonitrile.

Molecular Properties

Compound Name2-[(2,3-dichlorophenyl)methyl-methylamino]benzonitrile
PubChem CID103604235
Molecular FormulaC15H12Cl2N2
Molecular Weight291.18 g/mol
Exact Mass290.04
IUPAC Name2-[(2,3-dichlorophenyl)methyl-methylamino]benzonitrile
SMILESCN(Cc1cccc(Cl)c1Cl)c1ccccc1C#N
InChIInChI=1S/C15H12Cl2N2/c1-19(14-8-3-2-5-11(14)9-18)10-12-6-4-7-13(16)15(12)17/h2-8H,10H2,1H3
InChIKeyRIIMEEFZNWUPJR-UHFFFAOYSA-N
XLogP4.50
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,3-dichlorophenyl)methyl-methylamino]benzonitrile
CID 107306399
2-[methyl-[(2-nitrophenyl)methyl]amino]benzonitrile
CID 112727031
2-[(2-aminophenyl)methyl-methylamino]-6-chlorobenzonitrile
CID 62497687
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzonitrile
CID 61372789
3-[(N,2-dimethylanilino)methyl]-2-fluorobenzonitrile
CID 107114943
2-[(2,3-dichlorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 107306598
5-chloro-6-[(2,3-dichlorophenyl)methyl-methylamino]pyridine-3-carbonitrile
CID 51135200
2-amino-3-[(2-fluorophenyl)methyl-methylamino]benzonitrile
CID 104716346
2-(2-amino-3-chloro-N-methylanilino)benzonitrile
CID 104834743
2-[methyl(pyridin-4-ylmethyl)amino]benzonitrile
CID 43420438
2-[2-(dimethylamino)ethyl-methylamino]benzonitrile
CID 55247342
2-bromo-4-[(2-chlorophenyl)methyl-methylamino]benzonitrile
CID 107276024

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenyl)methyl-methylamino]benzonitrile?
The IUPAC name of 2-[(2,3-dichlorophenyl)methyl-methylamino]benzonitrile (CID 103604235) is 2-[(2,3-dichlorophenyl)methyl-methylamino]benzonitrile.
What is the SMILES notation for 2-[(2,3-dichlorophenyl)methyl-methylamino]benzonitrile?
The canonical SMILES for 2-[(2,3-dichlorophenyl)methyl-methylamino]benzonitrile is CN(Cc1cccc(Cl)c1Cl)c1ccccc1C#N.
What is the InChIKey of 2-[(2,3-dichlorophenyl)methyl-methylamino]benzonitrile?
The InChIKey is RIIMEEFZNWUPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2/c1-19(14-8-3-2-5-11(14)9-18)10-12-6-4-7-13(16)15(12)17/h2-8H,10H2,1H3.
What are the key properties of 2-[(2,3-dichlorophenyl)methyl-methylamino]benzonitrile?
2-[(2,3-dichlorophenyl)methyl-methylamino]benzonitrile has a molecular weight of 291.18 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorophenyl)methyl-methylamino]benzonitrile is sourced from PubChem (CID 103604235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).