2-(diethylaminomethyl)benzonitrile

C12H16N2 — CID 7130776

IUPAC2-(diethylaminomethyl)benzonitrile
SMILESCCN(CC)Cc1ccccc1C#N
InChIInChI=1S/C12H16N2/c1-3-14(4-2)10-12-8-6-5-7-11(12)9-13/h5-8H,3-4,10H2,1-2H3
InChIKeyRXOWGZSDKIPFGO-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.40
Rot. Bonds4

About 2-(diethylaminomethyl)benzonitrile

2-(diethylaminomethyl)benzonitrile (PubChem CID 7130776) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(diethylaminomethyl)benzonitrile.

Molecular Properties

Compound Name2-(diethylaminomethyl)benzonitrile
PubChem CID7130776
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-(diethylaminomethyl)benzonitrile
SMILESCCN(CC)Cc1ccccc1C#N
InChIInChI=1S/C12H16N2/c1-3-14(4-2)10-12-8-6-5-7-11(12)9-13/h5-8H,3-4,10H2,1-2H3
InChIKeyRXOWGZSDKIPFGO-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(diethylaminomethyl)benzonitrile 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-(diethylaminomethyl)benzonitrile?
The IUPAC name of 2-(diethylaminomethyl)benzonitrile (CID 7130776) is 2-(diethylaminomethyl)benzonitrile.
What is the SMILES notation for 2-(diethylaminomethyl)benzonitrile?
The canonical SMILES for 2-(diethylaminomethyl)benzonitrile is CCN(CC)Cc1ccccc1C#N.
What is the InChIKey of 2-(diethylaminomethyl)benzonitrile?
The InChIKey is RXOWGZSDKIPFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-3-14(4-2)10-12-8-6-5-7-11(12)9-13/h5-8H,3-4,10H2,1-2H3.
What are the key properties of 2-(diethylaminomethyl)benzonitrile?
2-(diethylaminomethyl)benzonitrile has a molecular weight of 188.27 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylaminomethyl)benzonitrile is sourced from PubChem (CID 7130776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).