2-(aminomethyl)-3-(2-fluorophenyl)propanenitrile

C10H11FN2 — CID 82503559

IUPAC2-(aminomethyl)-3-(2-fluorophenyl)propanenitrile
SMILESN#CC(CN)Cc1ccccc1F
InChIInChI=1S/C10H11FN2/c11-10-4-2-1-3-9(10)5-8(6-12)7-13/h1-4,8H,5-6,12H2
InChIKeyGFNCTRNCVNRFJF-UHFFFAOYSA-N
MW178.21 g/mol
LogP1.47
Rot. Bonds3

About 2-(aminomethyl)-3-(2-fluorophenyl)propanenitrile

2-(aminomethyl)-3-(2-fluorophenyl)propanenitrile (PubChem CID 82503559) has the molecular formula C10H11FN2 and a molecular weight of 178.21 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(2-fluorophenyl)propanenitrile.

Molecular Properties

Compound Name2-(aminomethyl)-3-(2-fluorophenyl)propanenitrile
PubChem CID82503559
Molecular FormulaC10H11FN2
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name2-(aminomethyl)-3-(2-fluorophenyl)propanenitrile
SMILESN#CC(CN)Cc1ccccc1F
InChIInChI=1S/C10H11FN2/c11-10-4-2-1-3-9(10)5-8(6-12)7-13/h1-4,8H,5-6,12H2
InChIKeyGFNCTRNCVNRFJF-UHFFFAOYSA-N
XLogP1.47
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(2-fluorophenyl)propanenitrile?
The IUPAC name of 2-(aminomethyl)-3-(2-fluorophenyl)propanenitrile (CID 82503559) is 2-(aminomethyl)-3-(2-fluorophenyl)propanenitrile.
What is the SMILES notation for 2-(aminomethyl)-3-(2-fluorophenyl)propanenitrile?
The canonical SMILES for 2-(aminomethyl)-3-(2-fluorophenyl)propanenitrile is N#CC(CN)Cc1ccccc1F.
What is the InChIKey of 2-(aminomethyl)-3-(2-fluorophenyl)propanenitrile?
The InChIKey is GFNCTRNCVNRFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2/c11-10-4-2-1-3-9(10)5-8(6-12)7-13/h1-4,8H,5-6,12H2.
What are the key properties of 2-(aminomethyl)-3-(2-fluorophenyl)propanenitrile?
2-(aminomethyl)-3-(2-fluorophenyl)propanenitrile has a molecular weight of 178.21 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(2-fluorophenyl)propanenitrile is sourced from PubChem (CID 82503559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).