2,2-dimethyl-3-[(2-methylphenyl)methylamino]propanenitrile

C13H18N2 — CID 104587184

IUPAC2,2-dimethyl-3-[(2-methylphenyl)methylamino]propanenitrile
SMILESCc1ccccc1CNCC(C)(C)C#N
InChIInChI=1S/C13H18N2/c1-11-6-4-5-7-12(11)8-15-10-13(2,3)9-14/h4-7,15H,8,10H2,1-3H3
InChIKeyFKZYCYZNTWLECW-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.63
Rot. Bonds4

About 2,2-dimethyl-3-[(2-methylphenyl)methylamino]propanenitrile

2,2-dimethyl-3-[(2-methylphenyl)methylamino]propanenitrile (PubChem CID 104587184) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(2-methylphenyl)methylamino]propanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-3-[(2-methylphenyl)methylamino]propanenitrile
PubChem CID104587184
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2,2-dimethyl-3-[(2-methylphenyl)methylamino]propanenitrile
SMILESCc1ccccc1CNCC(C)(C)C#N
InChIInChI=1S/C13H18N2/c1-11-6-4-5-7-12(11)8-15-10-13(2,3)9-14/h4-7,15H,8,10H2,1-3H3
InChIKeyFKZYCYZNTWLECW-UHFFFAOYSA-N
XLogP2.63
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,3-dimethylphenyl)methylamino]-2,2-dimethylpropanenitrile
CID 104587379
2,2-dimethyl-6-[(2-methylphenyl)methylamino]hexanenitrile
CID 106709115
2,2-dimethyl-3-[[2-(trifluoromethoxy)phenyl]methylamino]propanenitrile
CID 104587087
2,2-dimethyl-3-[(2-pyrrolidin-1-ylphenyl)methylamino]propanenitrile
CID 104587166
3-(isoquinolin-4-ylmethylamino)-2,2-dimethylpropanenitrile
CID 104587163
3-[(4-ethylphenyl)methylamino]-2,2-dimethylpropanenitrile
CID 104587185
5-[(2-methylphenyl)methylamino]pentanenitrile
CID 60695206
2-[[(2-methylphenyl)methylamino]methyl]phenol
CID 60912930
N-[(2-methylphenyl)methyl]ethanamine;hydrochloride
CID 17293898
3-[(5-chloro-4-methoxy-2-methylphenyl)methylamino]-2,2-dimethylpropanenitrile
CID 115234028
2,2-dimethyl-3-[2-(2,3,4-trimethylphenyl)ethylamino]propanenitrile
CID 115234277
4-[2-(ethylaminomethyl)-6-methylphenoxy]-2,2-dimethylbutanenitrile
CID 112609120

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(2-methylphenyl)methylamino]propanenitrile?
The IUPAC name of 2,2-dimethyl-3-[(2-methylphenyl)methylamino]propanenitrile (CID 104587184) is 2,2-dimethyl-3-[(2-methylphenyl)methylamino]propanenitrile.
What is the SMILES notation for 2,2-dimethyl-3-[(2-methylphenyl)methylamino]propanenitrile?
The canonical SMILES for 2,2-dimethyl-3-[(2-methylphenyl)methylamino]propanenitrile is Cc1ccccc1CNCC(C)(C)C#N.
What is the InChIKey of 2,2-dimethyl-3-[(2-methylphenyl)methylamino]propanenitrile?
The InChIKey is FKZYCYZNTWLECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-11-6-4-5-7-12(11)8-15-10-13(2,3)9-14/h4-7,15H,8,10H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-[(2-methylphenyl)methylamino]propanenitrile?
2,2-dimethyl-3-[(2-methylphenyl)methylamino]propanenitrile has a molecular weight of 202.30 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(2-methylphenyl)methylamino]propanenitrile is sourced from PubChem (CID 104587184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).