2-(diethylamino)-2-phenylacetonitrile

C12H16N2 — CID 21177

IUPAC2-(diethylamino)-2-phenylacetonitrile
SMILESCCN(CC)C(C#N)c1ccccc1
InChIInChI=1S/C12H16N2/c1-3-14(4-2)12(10-13)11-8-6-5-7-9-11/h5-9,12H,3-4H2,1-2H3
InChIKeyMNUHBMWEFILMEW-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.59
Rot. Bonds4

About 2-(diethylamino)-2-phenylacetonitrile

2-(diethylamino)-2-phenylacetonitrile (PubChem CID 21177) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(diethylamino)-2-phenylacetonitrile.

Molecular Properties

Compound Name2-(diethylamino)-2-phenylacetonitrile
PubChem CID21177
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-(diethylamino)-2-phenylacetonitrile
SMILESCCN(CC)C(C#N)c1ccccc1
InChIInChI=1S/C12H16N2/c1-3-14(4-2)12(10-13)11-8-6-5-7-9-11/h5-9,12H,3-4H2,1-2H3
InChIKeyMNUHBMWEFILMEW-UHFFFAOYSA-N
XLogP2.59
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-phenylacetonitrile?
The IUPAC name of 2-(diethylamino)-2-phenylacetonitrile (CID 21177) is 2-(diethylamino)-2-phenylacetonitrile.
What is the SMILES notation for 2-(diethylamino)-2-phenylacetonitrile?
The canonical SMILES for 2-(diethylamino)-2-phenylacetonitrile is CCN(CC)C(C#N)c1ccccc1.
What is the InChIKey of 2-(diethylamino)-2-phenylacetonitrile?
The InChIKey is MNUHBMWEFILMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-3-14(4-2)12(10-13)11-8-6-5-7-9-11/h5-9,12H,3-4H2,1-2H3.
What are the key properties of 2-(diethylamino)-2-phenylacetonitrile?
2-(diethylamino)-2-phenylacetonitrile has a molecular weight of 188.27 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-phenylacetonitrile is sourced from PubChem (CID 21177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).