3-(2-fluorophenyl)-3-(methylamino)propanenitrile

C10H11FN2 — CID 116955204

IUPAC3-(2-fluorophenyl)-3-(methylamino)propanenitrile
SMILESCNC(CC#N)c1ccccc1F
InChIInChI=1S/C10H11FN2/c1-13-10(6-7-12)8-4-2-3-5-9(8)11/h2-5,10,13H,6H2,1H3
InChIKeyAIOWHLQHNYLZMI-UHFFFAOYSA-N
MW178.21 g/mol
LogP2.00
Rot. Bonds3

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

3-(2-fluorophenyl)-3-(methylamino)propanenitrile (PubChem CID 116955204) has the molecular formula C10H11FN2 and a molecular weight of 178.21 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-3-(methylamino)propanenitrile.

Molecular Properties

Compound Name3-(2-fluorophenyl)-3-(methylamino)propanenitrile
PubChem CID116955204
Molecular FormulaC10H11FN2
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name3-(2-fluorophenyl)-3-(methylamino)propanenitrile
SMILESCNC(CC#N)c1ccccc1F
InChIInChI=1S/C10H11FN2/c1-13-10(6-7-12)8-4-2-3-5-9(8)11/h2-5,10,13H,6H2,1H3
InChIKeyAIOWHLQHNYLZMI-UHFFFAOYSA-N
XLogP2.00
TPSA35.82 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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-N-methyl-2-methylsulfanylethanamine
CID 62692362
1-(2-fluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 63892587
3-[1-(2-fluorophenyl)ethylamino]butanenitrile
CID 61361823
(2R)-2-(2-fluorophenyl)-2-(methylamino)acetonitrile
CID 28520327
1-(2-fluorophenyl)-N-methylpentan-1-amine
CID 63083903
(3R)-3-amino-3-(2-fluorophenyl)propanenitrile;hydrochloride
CID 171260293
4-(2-fluorophenyl)-4-hydroxy-3-methylbutanenitrile
CID 82111982
3-(1-benzofuran-3-yl)-3-(methylamino)propanenitrile
CID 116955216
N'-butan-2-yl-1-(2-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 62644105
1-(2-fluorophenyl)-N-methyl-3-methylidenepentan-1-amine
CID 66037563
methyl 3-(2-fluorophenyl)-3-(methylamino)propanoate
CID 65235054
1-(2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 63083908

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-3-(methylamino)propanenitrile?
The IUPAC name of 3-(2-fluorophenyl)-3-(methylamino)propanenitrile (CID 116955204) is 3-(2-fluorophenyl)-3-(methylamino)propanenitrile.
What is the SMILES notation for 3-(2-fluorophenyl)-3-(methylamino)propanenitrile?
The canonical SMILES for 3-(2-fluorophenyl)-3-(methylamino)propanenitrile is CNC(CC#N)c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-3-(methylamino)propanenitrile?
The InChIKey is AIOWHLQHNYLZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2/c1-13-10(6-7-12)8-4-2-3-5-9(8)11/h2-5,10,13H,6H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-3-(methylamino)propanenitrile?
3-(2-fluorophenyl)-3-(methylamino)propanenitrile has a molecular weight of 178.21 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-3-(methylamino)propanenitrile is sourced from PubChem (CID 116955204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).