2-(dimethylamino)-2-(2,3-dimethylphenyl)acetonitrile

C12H16N2 — CID 14740407

IUPAC2-(dimethylamino)-2-(2,3-dimethylphenyl)acetonitrile
SMILESCc1cccc(C(C#N)N(C)C)c1C
InChIInChI=1S/C12H16N2/c1-9-6-5-7-11(10(9)2)12(8-13)14(3)4/h5-7,12H,1-4H3
InChIKeyIVVMPBPNWNZOKG-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.43
Rot. Bonds2

About 2-(dimethylamino)-2-(2,3-dimethylphenyl)acetonitrile

2-(dimethylamino)-2-(2,3-dimethylphenyl)acetonitrile (PubChem CID 14740407) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(2,3-dimethylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(dimethylamino)-2-(2,3-dimethylphenyl)acetonitrile
PubChem CID14740407
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-(dimethylamino)-2-(2,3-dimethylphenyl)acetonitrile
SMILESCc1cccc(C(C#N)N(C)C)c1C
InChIInChI=1S/C12H16N2/c1-9-6-5-7-11(10(9)2)12(8-13)14(3)4/h5-7,12H,1-4H3
InChIKeyIVVMPBPNWNZOKG-UHFFFAOYSA-N
XLogP2.43
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(dimethylamino)-2-(2,3-dimethylphenyl)acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(2,3-dimethylphenyl)acetonitrile?
The IUPAC name of 2-(dimethylamino)-2-(2,3-dimethylphenyl)acetonitrile (CID 14740407) is 2-(dimethylamino)-2-(2,3-dimethylphenyl)acetonitrile.
What is the SMILES notation for 2-(dimethylamino)-2-(2,3-dimethylphenyl)acetonitrile?
The canonical SMILES for 2-(dimethylamino)-2-(2,3-dimethylphenyl)acetonitrile is Cc1cccc(C(C#N)N(C)C)c1C.
What is the InChIKey of 2-(dimethylamino)-2-(2,3-dimethylphenyl)acetonitrile?
The InChIKey is IVVMPBPNWNZOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-9-6-5-7-11(10(9)2)12(8-13)14(3)4/h5-7,12H,1-4H3.
What are the key properties of 2-(dimethylamino)-2-(2,3-dimethylphenyl)acetonitrile?
2-(dimethylamino)-2-(2,3-dimethylphenyl)acetonitrile has a molecular weight of 188.27 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(2,3-dimethylphenyl)acetonitrile is sourced from PubChem (CID 14740407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).