2-(4-chlorophenyl)-2-(dimethylamino)acetonitrile

C10H11ClN2 — CID 27129

IUPAC2-(4-chlorophenyl)-2-(dimethylamino)acetonitrile
SMILESCN(C)C(C#N)c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2/c1-13(2)10(7-12)8-3-5-9(11)6-4-8/h3-6,10H,1-2H3
InChIKeyUWSLRLXBDMTSFR-UHFFFAOYSA-N
MW194.66 g/mol
LogP2.47
Rot. Bonds2

About 2-(4-chlorophenyl)-2-(dimethylamino)acetonitrile

2-(4-chlorophenyl)-2-(dimethylamino)acetonitrile (PubChem CID 27129) has the molecular formula C10H11ClN2 and a molecular weight of 194.66 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(dimethylamino)acetonitrile.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(dimethylamino)acetonitrile
PubChem CID27129
Molecular FormulaC10H11ClN2
Molecular Weight194.66 g/mol
Exact Mass194.06
IUPAC Name2-(4-chlorophenyl)-2-(dimethylamino)acetonitrile
SMILESCN(C)C(C#N)c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2/c1-13(2)10(7-12)8-3-5-9(11)6-4-8/h3-6,10H,1-2H3
InChIKeyUWSLRLXBDMTSFR-UHFFFAOYSA-N
XLogP2.47
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(dimethylamino)acetonitrile?
The IUPAC name of 2-(4-chlorophenyl)-2-(dimethylamino)acetonitrile (CID 27129) is 2-(4-chlorophenyl)-2-(dimethylamino)acetonitrile.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(dimethylamino)acetonitrile?
The canonical SMILES for 2-(4-chlorophenyl)-2-(dimethylamino)acetonitrile is CN(C)C(C#N)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-(dimethylamino)acetonitrile?
The InChIKey is UWSLRLXBDMTSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2/c1-13(2)10(7-12)8-3-5-9(11)6-4-8/h3-6,10H,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-2-(dimethylamino)acetonitrile?
2-(4-chlorophenyl)-2-(dimethylamino)acetonitrile has a molecular weight of 194.66 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(dimethylamino)acetonitrile is sourced from PubChem (CID 27129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).