2-chloro-5-[(2,4-dimethylphenyl)methylamino]benzonitrile

C16H15ClN2 — CID 43686808

IUPAC2-chloro-5-[(2,4-dimethylphenyl)methylamino]benzonitrile
SMILESCc1ccc(CNc2ccc(Cl)c(C#N)c2)c(C)c1
InChIInChI=1S/C16H15ClN2/c1-11-3-4-13(12(2)7-11)10-19-15-5-6-16(17)14(8-15)9-18/h3-8,19H,10H2,1-2H3
InChIKeyMWYWBZIVAARZCG-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.44
Rot. Bonds3

About 2-chloro-5-[(2,4-dimethylphenyl)methylamino]benzonitrile

2-chloro-5-[(2,4-dimethylphenyl)methylamino]benzonitrile (PubChem CID 43686808) has the molecular formula C16H15ClN2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-chloro-5-[(2,4-dimethylphenyl)methylamino]benzonitrile.

Molecular Properties

Compound Name2-chloro-5-[(2,4-dimethylphenyl)methylamino]benzonitrile
PubChem CID43686808
Molecular FormulaC16H15ClN2
Molecular Weight270.76 g/mol
Exact Mass270.09
IUPAC Name2-chloro-5-[(2,4-dimethylphenyl)methylamino]benzonitrile
SMILESCc1ccc(CNc2ccc(Cl)c(C#N)c2)c(C)c1
InChIInChI=1S/C16H15ClN2/c1-11-3-4-13(12(2)7-11)10-19-15-5-6-16(17)14(8-15)9-18/h3-8,19H,10H2,1-2H3
InChIKeyMWYWBZIVAARZCG-UHFFFAOYSA-N
XLogP4.44
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2-chloro-4-methylphenyl)methylamino]-2-fluorobenzonitrile
CID 106862578
2-chloro-5-[(3-chloro-4-methylphenyl)methylamino]benzonitrile
CID 106816335
2-chloro-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzonitrile
CID 43686981
2-chloro-5-[(2,4-dimethylphenyl)methylamino]-N-methylbenzamide
CID 60936552
methyl 2-[(4-chloro-3-cyanoanilino)methyl]benzoate
CID 43781729
2-chloro-4-[(2,4,6-trimethylphenyl)methylamino]benzonitrile
CID 43348060
N-[2-chloro-4-[(2,4-dimethylphenyl)methylamino]phenyl]acetamide
CID 43690141
2-chloro-5-[(2,3-dimethoxyphenyl)methylamino]benzonitrile
CID 43686871
2-chloro-5-(2-methylpropylamino)benzonitrile
CID 43686844
2-chloro-N-[(2,4-dimethylphenyl)methyl]-5-fluoroaniline
CID 107527051
2-chloro-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]benzonitrile
CID 43425609
N-[4-[(4-chloro-3-cyanoanilino)methyl]phenyl]acetamide
CID 43686842

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2,4-dimethylphenyl)methylamino]benzonitrile?
The IUPAC name of 2-chloro-5-[(2,4-dimethylphenyl)methylamino]benzonitrile (CID 43686808) is 2-chloro-5-[(2,4-dimethylphenyl)methylamino]benzonitrile.
What is the SMILES notation for 2-chloro-5-[(2,4-dimethylphenyl)methylamino]benzonitrile?
The canonical SMILES for 2-chloro-5-[(2,4-dimethylphenyl)methylamino]benzonitrile is Cc1ccc(CNc2ccc(Cl)c(C#N)c2)c(C)c1.
What is the InChIKey of 2-chloro-5-[(2,4-dimethylphenyl)methylamino]benzonitrile?
The InChIKey is MWYWBZIVAARZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2/c1-11-3-4-13(12(2)7-11)10-19-15-5-6-16(17)14(8-15)9-18/h3-8,19H,10H2,1-2H3.
What are the key properties of 2-chloro-5-[(2,4-dimethylphenyl)methylamino]benzonitrile?
2-chloro-5-[(2,4-dimethylphenyl)methylamino]benzonitrile has a molecular weight of 270.76 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2,4-dimethylphenyl)methylamino]benzonitrile is sourced from PubChem (CID 43686808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).