2-[(2,6-dimethylanilino)methyl]benzonitrile

C16H16N2 — CID 60688762

IUPAC2-[(2,6-dimethylanilino)methyl]benzonitrile
SMILESCc1cccc(C)c1NCc1ccccc1C#N
InChIInChI=1S/C16H16N2/c1-12-6-5-7-13(2)16(12)18-11-15-9-4-3-8-14(15)10-17/h3-9,18H,11H2,1-2H3
InChIKeyLLNNOQILNZJSTD-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.79
Rot. Bonds3

About 2-[(2,6-dimethylanilino)methyl]benzonitrile

2-[(2,6-dimethylanilino)methyl]benzonitrile (PubChem CID 60688762) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[(2,6-dimethylanilino)methyl]benzonitrile.

Molecular Properties

Compound Name2-[(2,6-dimethylanilino)methyl]benzonitrile
PubChem CID60688762
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name2-[(2,6-dimethylanilino)methyl]benzonitrile
SMILESCc1cccc(C)c1NCc1ccccc1C#N
InChIInChI=1S/C16H16N2/c1-12-6-5-7-13(2)16(12)18-11-15-9-4-3-8-14(15)10-17/h3-9,18H,11H2,1-2H3
InChIKeyLLNNOQILNZJSTD-UHFFFAOYSA-N
XLogP3.79
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,3-dimethylanilino)methyl]benzonitrile
CID 28585691
2-[(2,6-dimethylanilino)methyl]phenol
CID 4863460
2-[(4-bromo-3,5-dimethylanilino)methyl]benzonitrile
CID 107936050
2-[[2-(2,6-dimethylphenyl)ethylamino]methyl]benzonitrile
CID 143173601
2-[(4-bromo-2-methoxy-6-methylanilino)methyl]benzonitrile
CID 103745125
2-[[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]benzonitrile
CID 103851532
N-[(2-bromophenyl)methyl]-2,6-dimethylaniline
CID 55024912
2-[(4-cyano-2-fluorophenyl)methylamino]-3-methylbenzonitrile
CID 107106233
2-[(4-hydroxy-3-methylanilino)methyl]benzonitrile
CID 114017959
2-[(5-amino-2-hydroxyphenyl)methylamino]-3-methylbenzonitrile
CID 107110143
2-[2-(2-fluorophenyl)ethylamino]-3-methylbenzonitrile
CID 107106323
2-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]benzonitrile
CID 107935967

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylanilino)methyl]benzonitrile?
The IUPAC name of 2-[(2,6-dimethylanilino)methyl]benzonitrile (CID 60688762) is 2-[(2,6-dimethylanilino)methyl]benzonitrile.
What is the SMILES notation for 2-[(2,6-dimethylanilino)methyl]benzonitrile?
The canonical SMILES for 2-[(2,6-dimethylanilino)methyl]benzonitrile is Cc1cccc(C)c1NCc1ccccc1C#N.
What is the InChIKey of 2-[(2,6-dimethylanilino)methyl]benzonitrile?
The InChIKey is LLNNOQILNZJSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-12-6-5-7-13(2)16(12)18-11-15-9-4-3-8-14(15)10-17/h3-9,18H,11H2,1-2H3.
What are the key properties of 2-[(2,6-dimethylanilino)methyl]benzonitrile?
2-[(2,6-dimethylanilino)methyl]benzonitrile has a molecular weight of 236.32 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylanilino)methyl]benzonitrile is sourced from PubChem (CID 60688762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).