4-[[3-(dimethylamino)phenyl]methyl-methylamino]benzonitrile

C17H19N3 — CID 133385857

IUPAC4-[[3-(dimethylamino)phenyl]methyl-methylamino]benzonitrile
SMILESCN(C)c1cccc(CN(C)c2ccc(C#N)cc2)c1
InChIInChI=1S/C17H19N3/c1-19(2)17-6-4-5-15(11-17)13-20(3)16-9-7-14(12-18)8-10-16/h4-11H,13H2,1-3H3
InChIKeyORJMRMHWYXCZFE-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.26
Rot. Bonds4

About 4-[[3-(dimethylamino)phenyl]methyl-methylamino]benzonitrile

4-[[3-(dimethylamino)phenyl]methyl-methylamino]benzonitrile (PubChem CID 133385857) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[[3-(dimethylamino)phenyl]methyl-methylamino]benzonitrile.

Molecular Properties

Compound Name4-[[3-(dimethylamino)phenyl]methyl-methylamino]benzonitrile
PubChem CID133385857
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name4-[[3-(dimethylamino)phenyl]methyl-methylamino]benzonitrile
SMILESCN(C)c1cccc(CN(C)c2ccc(C#N)cc2)c1
InChIInChI=1S/C17H19N3/c1-19(2)17-6-4-5-15(11-17)13-20(3)16-9-7-14(12-18)8-10-16/h4-11H,13H2,1-3H3
InChIKeyORJMRMHWYXCZFE-UHFFFAOYSA-N
XLogP3.26
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-[(N-methylanilino)methyl]aniline
CID 99811191
4-[[3-(dimethylamino)phenyl]methoxy]benzonitrile
CID 82245048
3-[(3-chlorophenyl)methyl-methylamino]benzonitrile
CID 55152648
2-[3-(dimethylamino)phenyl]acetonitrile
CID 53403559
3-[[3-(dimethylamino)phenyl]methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 133385902
4-[(3-bromo-5-fluorophenyl)methyl-methylamino]benzonitrile
CID 79709844
2-amino-5-[(3-cyanophenyl)methyl-methylamino]benzonitrile
CID 115499440
4-[2-(4-cyano-N-methylanilino)ethyl-methylamino]benzonitrile
CID 46837999
2-[[3-(dimethylamino)phenyl]methyl-methylamino]-5-nitrobenzonitrile
CID 133385731
N-(4-cyanophenyl)-3-(dimethylamino)-N-methylbenzamide
CID 62983461
4-[(2,3-dichlorophenyl)methyl-methylamino]benzonitrile
CID 107306399
3-[[(6-acetyl-3-pyridinyl)-methylamino]methyl]benzonitrile
CID 83119462

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(dimethylamino)phenyl]methyl-methylamino]benzonitrile?
The IUPAC name of 4-[[3-(dimethylamino)phenyl]methyl-methylamino]benzonitrile (CID 133385857) is 4-[[3-(dimethylamino)phenyl]methyl-methylamino]benzonitrile.
What is the SMILES notation for 4-[[3-(dimethylamino)phenyl]methyl-methylamino]benzonitrile?
The canonical SMILES for 4-[[3-(dimethylamino)phenyl]methyl-methylamino]benzonitrile is CN(C)c1cccc(CN(C)c2ccc(C#N)cc2)c1.
What is the InChIKey of 4-[[3-(dimethylamino)phenyl]methyl-methylamino]benzonitrile?
The InChIKey is ORJMRMHWYXCZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-19(2)17-6-4-5-15(11-17)13-20(3)16-9-7-14(12-18)8-10-16/h4-11H,13H2,1-3H3.
What are the key properties of 4-[[3-(dimethylamino)phenyl]methyl-methylamino]benzonitrile?
4-[[3-(dimethylamino)phenyl]methyl-methylamino]benzonitrile has a molecular weight of 265.36 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(dimethylamino)phenyl]methyl-methylamino]benzonitrile is sourced from PubChem (CID 133385857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).