4-[(2,3-dichlorophenyl)methyl-methylamino]benzonitrile

C15H12Cl2N2 — CID 107306399

IUPAC4-[(2,3-dichlorophenyl)methyl-methylamino]benzonitrile
SMILESCN(Cc1cccc(Cl)c1Cl)c1ccc(C#N)cc1
InChIInChI=1S/C15H12Cl2N2/c1-19(13-7-5-11(9-18)6-8-13)10-12-3-2-4-14(16)15(12)17/h2-8H,10H2,1H3
InChIKeyUYUYSZPCOYFKCC-UHFFFAOYSA-N
MW291.18 g/mol
LogP4.50
Rot. Bonds3

About 4-[(2,3-dichlorophenyl)methyl-methylamino]benzonitrile

4-[(2,3-dichlorophenyl)methyl-methylamino]benzonitrile (PubChem CID 107306399) has the molecular formula C15H12Cl2N2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 4-[(2,3-dichlorophenyl)methyl-methylamino]benzonitrile.

Molecular Properties

Compound Name4-[(2,3-dichlorophenyl)methyl-methylamino]benzonitrile
PubChem CID107306399
Molecular FormulaC15H12Cl2N2
Molecular Weight291.18 g/mol
Exact Mass290.04
IUPAC Name4-[(2,3-dichlorophenyl)methyl-methylamino]benzonitrile
SMILESCN(Cc1cccc(Cl)c1Cl)c1ccc(C#N)cc1
InChIInChI=1S/C15H12Cl2N2/c1-19(13-7-5-11(9-18)6-8-13)10-12-3-2-4-14(16)15(12)17/h2-8H,10H2,1H3
InChIKeyUYUYSZPCOYFKCC-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-[(2,5-dichlorophenyl)methyl-methylamino]benzonitrile
CID 65317327
5-chloro-6-[(2,3-dichlorophenyl)methyl-methylamino]pyridine-3-carbonitrile
CID 51135200
2-[(2,3-dichlorophenyl)methyl-methylamino]benzonitrile
CID 103604235
4-[2-(4-cyano-N-methylanilino)ethyl-methylamino]benzonitrile
CID 46837999
4-[(2,5-difluorophenyl)methyl-methylamino]benzonitrile
CID 62981738
4-[[3-(dimethylamino)phenyl]methyl-methylamino]benzonitrile
CID 133385857
2-bromo-4-[(2-chlorophenyl)methyl-methylamino]benzonitrile
CID 107276024
N-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)-N-methylacetamide
CID 39858894
4-[(2-fluoro-4-methoxyphenyl)methyl-methylamino]benzonitrile
CID 102876735
4-[2-hydroxyethyl(methyl)amino]benzonitrile
CID 10261613
3-[(2-fluorophenyl)methyl-methylamino]benzonitrile
CID 47078108
(2,3-dichlorophenyl)methyl-methylcarbamic acid
CID 23189896

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dichlorophenyl)methyl-methylamino]benzonitrile?
The IUPAC name of 4-[(2,3-dichlorophenyl)methyl-methylamino]benzonitrile (CID 107306399) is 4-[(2,3-dichlorophenyl)methyl-methylamino]benzonitrile.
What is the SMILES notation for 4-[(2,3-dichlorophenyl)methyl-methylamino]benzonitrile?
The canonical SMILES for 4-[(2,3-dichlorophenyl)methyl-methylamino]benzonitrile is CN(Cc1cccc(Cl)c1Cl)c1ccc(C#N)cc1.
What is the InChIKey of 4-[(2,3-dichlorophenyl)methyl-methylamino]benzonitrile?
The InChIKey is UYUYSZPCOYFKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2/c1-19(13-7-5-11(9-18)6-8-13)10-12-3-2-4-14(16)15(12)17/h2-8H,10H2,1H3.
What are the key properties of 4-[(2,3-dichlorophenyl)methyl-methylamino]benzonitrile?
4-[(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 4-[(2,3-dichlorophenyl)methyl-methylamino]benzonitrile is sourced from PubChem (CID 107306399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).