3-(2-fluorophenyl)-2-methyl-2-(propylamino)propanenitrile

C13H17FN2 — CID 114831787

IUPAC3-(2-fluorophenyl)-2-methyl-2-(propylamino)propanenitrile
SMILESCCCNC(C)(C#N)Cc1ccccc1F
InChIInChI=1S/C13H17FN2/c1-3-8-16-13(2,10-15)9-11-6-4-5-7-12(11)14/h4-7,16H,3,8-9H2,1-2H3
InChIKeyZBESHCGJSLDOJL-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.65
Rot. Bonds5

About 3-(2-fluorophenyl)-2-methyl-2-(propylamino)propanenitrile

3-(2-fluorophenyl)-2-methyl-2-(propylamino)propanenitrile (PubChem CID 114831787) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-methyl-2-(propylamino)propanenitrile.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-methyl-2-(propylamino)propanenitrile
PubChem CID114831787
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name3-(2-fluorophenyl)-2-methyl-2-(propylamino)propanenitrile
SMILESCCCNC(C)(C#N)Cc1ccccc1F
InChIInChI=1S/C13H17FN2/c1-3-8-16-13(2,10-15)9-11-6-4-5-7-12(11)14/h4-7,16H,3,8-9H2,1-2H3
InChIKeyZBESHCGJSLDOJL-UHFFFAOYSA-N
XLogP2.65
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluorophenyl)-2-methyl-2-(methylamino)propanenitrile
CID 114831782
2-[(2-fluorophenyl)methylamino]-2-methylpropanenitrile
CID 28702608
2-[(2-fluorophenyl)methyl]-2-methyl-N-propylpentan-1-amine
CID 63509772
2-cyano-3-(2-fluorophenyl)-2-methylpropanoic acid
CID 75532046
methyl 2-cyano-3-(2-fluorophenyl)-2-methylpropanoate
CID 75366565
2-[1-(2-fluorophenyl)-2-hydroxypropan-2-yl]pentanenitrile
CID 114834992
2-methyl-4-phenoxy-2-(propylamino)pentanenitrile
CID 64725209
2-(azepan-1-yl)-3-(2-fluorophenyl)-2-methylpropanenitrile
CID 84751667
4-[2-(2-fluorophenyl)ethylamino]-2,2-dimethylbutanenitrile
CID 65248609
3-(2-fluorophenyl)-2-methyl-2-(4-methylpiperazin-1-yl)propanenitrile
CID 82090543
4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propylamino)butanenitrile
CID 64854867
4-benzylsulfanyl-2-methyl-2-(propylamino)pentanenitrile
CID 64710160

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2-methyl-2-(propylamino)propanenitrile?
The IUPAC name of 3-(2-fluorophenyl)-2-methyl-2-(propylamino)propanenitrile (CID 114831787) is 3-(2-fluorophenyl)-2-methyl-2-(propylamino)propanenitrile.
What is the SMILES notation for 3-(2-fluorophenyl)-2-methyl-2-(propylamino)propanenitrile?
The canonical SMILES for 3-(2-fluorophenyl)-2-methyl-2-(propylamino)propanenitrile is CCCNC(C)(C#N)Cc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-2-methyl-2-(propylamino)propanenitrile?
The InChIKey is ZBESHCGJSLDOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c1-3-8-16-13(2,10-15)9-11-6-4-5-7-12(11)14/h4-7,16H,3,8-9H2,1-2H3.
What are the key properties of 3-(2-fluorophenyl)-2-methyl-2-(propylamino)propanenitrile?
3-(2-fluorophenyl)-2-methyl-2-(propylamino)propanenitrile has a molecular weight of 220.29 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2-methyl-2-(propylamino)propanenitrile is sourced from PubChem (CID 114831787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).