4-[2-(methylamino)ethyl]benzonitrile

C10H12N2 — CID 64865760

IUPAC4-[2-(methylamino)ethyl]benzonitrile
SMILESCNCCc1ccc(C#N)cc1
InChIInChI=1S/C10H12N2/c1-12-7-6-9-2-4-10(8-11)5-3-9/h2-5,12H,6-7H2,1H3
InChIKeyHVQQKHKVUWPZKL-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.32
Rot. Bonds3

About 4-[2-(methylamino)ethyl]benzonitrile

4-[2-(methylamino)ethyl]benzonitrile (PubChem CID 64865760) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 4-[2-(methylamino)ethyl]benzonitrile.

Molecular Properties

Compound Name4-[2-(methylamino)ethyl]benzonitrile
PubChem CID64865760
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name4-[2-(methylamino)ethyl]benzonitrile
SMILESCNCCc1ccc(C#N)cc1
InChIInChI=1S/C10H12N2/c1-12-7-6-9-2-4-10(8-11)5-3-9/h2-5,12H,6-7H2,1H3
InChIKeyHVQQKHKVUWPZKL-UHFFFAOYSA-N
XLogP1.32
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylamino)ethyl]benzonitrile?
The IUPAC name of 4-[2-(methylamino)ethyl]benzonitrile (CID 64865760) is 4-[2-(methylamino)ethyl]benzonitrile.
What is the SMILES notation for 4-[2-(methylamino)ethyl]benzonitrile?
The canonical SMILES for 4-[2-(methylamino)ethyl]benzonitrile is CNCCc1ccc(C#N)cc1.
What is the InChIKey of 4-[2-(methylamino)ethyl]benzonitrile?
The InChIKey is HVQQKHKVUWPZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-12-7-6-9-2-4-10(8-11)5-3-9/h2-5,12H,6-7H2,1H3.
What are the key properties of 4-[2-(methylamino)ethyl]benzonitrile?
4-[2-(methylamino)ethyl]benzonitrile has a molecular weight of 160.22 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylamino)ethyl]benzonitrile is sourced from PubChem (CID 64865760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).