2-(dimethylamino)-2-phenylacetonitrile

C10H12N2 — CID 13227

IUPAC2-(dimethylamino)-2-phenylacetonitrile
SMILESCN(C)C(C#N)c1ccccc1
InChIInChI=1S/C10H12N2/c1-12(2)10(8-11)9-6-4-3-5-7-9/h3-7,10H,1-2H3
InChIKeyPAGHXXKYFBGJEH-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.81
Rot. Bonds2

About 2-(dimethylamino)-2-phenylacetonitrile

2-(dimethylamino)-2-phenylacetonitrile (PubChem CID 13227) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-(dimethylamino)-2-phenylacetonitrile.

Molecular Properties

Compound Name2-(dimethylamino)-2-phenylacetonitrile
PubChem CID13227
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name2-(dimethylamino)-2-phenylacetonitrile
SMILESCN(C)C(C#N)c1ccccc1
InChIInChI=1S/C10H12N2/c1-12(2)10(8-11)9-6-4-3-5-7-9/h3-7,10H,1-2H3
InChIKeyPAGHXXKYFBGJEH-UHFFFAOYSA-N
XLogP1.81
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-phenylacetonitrile?
The IUPAC name of 2-(dimethylamino)-2-phenylacetonitrile (CID 13227) is 2-(dimethylamino)-2-phenylacetonitrile.
What is the SMILES notation for 2-(dimethylamino)-2-phenylacetonitrile?
The canonical SMILES for 2-(dimethylamino)-2-phenylacetonitrile is CN(C)C(C#N)c1ccccc1.
What is the InChIKey of 2-(dimethylamino)-2-phenylacetonitrile?
The InChIKey is PAGHXXKYFBGJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-12(2)10(8-11)9-6-4-3-5-7-9/h3-7,10H,1-2H3.
What are the key properties of 2-(dimethylamino)-2-phenylacetonitrile?
2-(dimethylamino)-2-phenylacetonitrile has a molecular weight of 160.22 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-phenylacetonitrile is sourced from PubChem (CID 13227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).