2-methyl-2-[(4-methylphenyl)methylamino]propanenitrile

C12H16N2 — CID 28702607

IUPAC2-methyl-2-[(4-methylphenyl)methylamino]propanenitrile
SMILESCc1ccc(CNC(C)(C)C#N)cc1
InChIInChI=1S/C12H16N2/c1-10-4-6-11(7-5-10)8-14-12(2,3)9-13/h4-7,14H,8H2,1-3H3
InChIKeyAXYHZCGPJVREMK-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.39
Rot. Bonds3

About 2-methyl-2-[(4-methylphenyl)methylamino]propanenitrile

2-methyl-2-[(4-methylphenyl)methylamino]propanenitrile (PubChem CID 28702607) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-methyl-2-[(4-methylphenyl)methylamino]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[(4-methylphenyl)methylamino]propanenitrile
PubChem CID28702607
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-methyl-2-[(4-methylphenyl)methylamino]propanenitrile
SMILESCc1ccc(CNC(C)(C)C#N)cc1
InChIInChI=1S/C12H16N2/c1-10-4-6-11(7-5-10)8-14-12(2,3)9-13/h4-7,14H,8H2,1-3H3
InChIKeyAXYHZCGPJVREMK-UHFFFAOYSA-N
XLogP2.39
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-methylpropanenitrile
CID 115129260
2-[(3,4-dimethoxyphenyl)methylamino]-2-methylpropanenitrile
CID 28702633
2-methyl-2-[(2,4,6-trimethylphenyl)methylamino]propanenitrile
CID 115129275
2-cyclopropyl-N-[(4-methylphenyl)methyl]propan-2-amine
CID 103700096
2-[(3-chloro-4-methoxyphenyl)methylamino]-2-methylpropanenitrile
CID 115129256
2-[(4-methylphenyl)methylamino]cyclohexene-1-carbonitrile
CID 170945175
2-hydrazinyl-2-methyl-3-(4-methylphenyl)propanenitrile
CID 82125509
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
4-methyl-N-[[4-[(4-methylanilino)methyl]phenyl]methyl]aniline
CID 3313778
2-methyl-2-[(4-methylphenyl)methyl]butanenitrile
CID 65376608
2-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]propan-2-amine
CID 59597807
ethane;N-methyl-1-(4-methylphenyl)methanamine;propane
CID 168988049

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(4-methylphenyl)methylamino]propanenitrile?
The IUPAC name of 2-methyl-2-[(4-methylphenyl)methylamino]propanenitrile (CID 28702607) is 2-methyl-2-[(4-methylphenyl)methylamino]propanenitrile.
What is the SMILES notation for 2-methyl-2-[(4-methylphenyl)methylamino]propanenitrile?
The canonical SMILES for 2-methyl-2-[(4-methylphenyl)methylamino]propanenitrile is Cc1ccc(CNC(C)(C)C#N)cc1.
What is the InChIKey of 2-methyl-2-[(4-methylphenyl)methylamino]propanenitrile?
The InChIKey is AXYHZCGPJVREMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-10-4-6-11(7-5-10)8-14-12(2,3)9-13/h4-7,14H,8H2,1-3H3.
What are the key properties of 2-methyl-2-[(4-methylphenyl)methylamino]propanenitrile?
2-methyl-2-[(4-methylphenyl)methylamino]propanenitrile has a molecular weight of 188.27 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(4-methylphenyl)methylamino]propanenitrile is sourced from PubChem (CID 28702607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).