2-(dimethylamino)-4-(4-fluorophenyl)-2-methylbutanenitrile

C13H17FN2 — CID 82079821

IUPAC2-(dimethylamino)-4-(4-fluorophenyl)-2-methylbutanenitrile
SMILESCN(C)C(C)(C#N)CCc1ccc(F)cc1
InChIInChI=1S/C13H17FN2/c1-13(10-15,16(2)3)9-8-11-4-6-12(14)7-5-11/h4-7H,8-9H2,1-3H3
InChIKeyJRKMKONNGSPMCH-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.60
Rot. Bonds4

About 2-(dimethylamino)-4-(4-fluorophenyl)-2-methylbutanenitrile

2-(dimethylamino)-4-(4-fluorophenyl)-2-methylbutanenitrile (PubChem CID 82079821) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 2-(dimethylamino)-4-(4-fluorophenyl)-2-methylbutanenitrile.

Molecular Properties

Compound Name2-(dimethylamino)-4-(4-fluorophenyl)-2-methylbutanenitrile
PubChem CID82079821
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name2-(dimethylamino)-4-(4-fluorophenyl)-2-methylbutanenitrile
SMILESCN(C)C(C)(C#N)CCc1ccc(F)cc1
InChIInChI=1S/C13H17FN2/c1-13(10-15,16(2)3)9-8-11-4-6-12(14)7-5-11/h4-7H,8-9H2,1-3H3
InChIKeyJRKMKONNGSPMCH-UHFFFAOYSA-N
XLogP2.60
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-(4-fluorophenyl)-2-methylbutanenitrile?
The IUPAC name of 2-(dimethylamino)-4-(4-fluorophenyl)-2-methylbutanenitrile (CID 82079821) is 2-(dimethylamino)-4-(4-fluorophenyl)-2-methylbutanenitrile.
What is the SMILES notation for 2-(dimethylamino)-4-(4-fluorophenyl)-2-methylbutanenitrile?
The canonical SMILES for 2-(dimethylamino)-4-(4-fluorophenyl)-2-methylbutanenitrile is CN(C)C(C)(C#N)CCc1ccc(F)cc1.
What is the InChIKey of 2-(dimethylamino)-4-(4-fluorophenyl)-2-methylbutanenitrile?
The InChIKey is JRKMKONNGSPMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c1-13(10-15,16(2)3)9-8-11-4-6-12(14)7-5-11/h4-7H,8-9H2,1-3H3.
What are the key properties of 2-(dimethylamino)-4-(4-fluorophenyl)-2-methylbutanenitrile?
2-(dimethylamino)-4-(4-fluorophenyl)-2-methylbutanenitrile has a molecular weight of 220.29 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-(4-fluorophenyl)-2-methylbutanenitrile is sourced from PubChem (CID 82079821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).