3-[2-(2-aminoethyl)phenyl]benzonitrile

C15H14N2 — CID 1393724

IUPAC3-[2-(2-aminoethyl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2ccccc2CCN)c1
InChIInChI=1S/C15H14N2/c16-9-8-13-5-1-2-7-15(13)14-6-3-4-12(10-14)11-17/h1-7,10H,8-9,16H2
InChIKeyZJOYJTZKSVHYQN-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.73
Rot. Bonds3

About 3-[2-(2-aminoethyl)phenyl]benzonitrile

3-[2-(2-aminoethyl)phenyl]benzonitrile (PubChem CID 1393724) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-[2-(2-aminoethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name3-[2-(2-aminoethyl)phenyl]benzonitrile
PubChem CID1393724
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name3-[2-(2-aminoethyl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2ccccc2CCN)c1
InChIInChI=1S/C15H14N2/c16-9-8-13-5-1-2-7-15(13)14-6-3-4-12(10-14)11-17/h1-7,10H,8-9,16H2
InChIKeyZJOYJTZKSVHYQN-UHFFFAOYSA-N
XLogP2.73
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminoethyl)phenyl]benzonitrile?
The IUPAC name of 3-[2-(2-aminoethyl)phenyl]benzonitrile (CID 1393724) is 3-[2-(2-aminoethyl)phenyl]benzonitrile.
What is the SMILES notation for 3-[2-(2-aminoethyl)phenyl]benzonitrile?
The canonical SMILES for 3-[2-(2-aminoethyl)phenyl]benzonitrile is N#Cc1cccc(-c2ccccc2CCN)c1.
What is the InChIKey of 3-[2-(2-aminoethyl)phenyl]benzonitrile?
The InChIKey is ZJOYJTZKSVHYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c16-9-8-13-5-1-2-7-15(13)14-6-3-4-12(10-14)11-17/h1-7,10H,8-9,16H2.
What are the key properties of 3-[2-(2-aminoethyl)phenyl]benzonitrile?
3-[2-(2-aminoethyl)phenyl]benzonitrile has a molecular weight of 222.29 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminoethyl)phenyl]benzonitrile is sourced from PubChem (CID 1393724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).