4-[2-(2-aminopropyl)-6-fluorophenoxy]-2,2-dimethylbutanenitrile

C15H21FN2O — CID 112615925

IUPAC4-[2-(2-aminopropyl)-6-fluorophenoxy]-2,2-dimethylbutanenitrile
SMILESCC(N)Cc1cccc(F)c1OCCC(C)(C)C#N
InChIInChI=1S/C15H21FN2O/c1-11(18)9-12-5-4-6-13(16)14(12)19-8-7-15(2,3)10-17/h4-6,11H,7-9,18H2,1-3H3
InChIKeyIUYYVZVGLOSLAO-UHFFFAOYSA-N
MW264.34 g/mol
LogP3.03
Rot. Bonds6

About 4-[2-(2-aminopropyl)-6-fluorophenoxy]-2,2-dimethylbutanenitrile

4-[2-(2-aminopropyl)-6-fluorophenoxy]-2,2-dimethylbutanenitrile (PubChem CID 112615925) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 4-[2-(2-aminopropyl)-6-fluorophenoxy]-2,2-dimethylbutanenitrile.

Molecular Properties

Compound Name4-[2-(2-aminopropyl)-6-fluorophenoxy]-2,2-dimethylbutanenitrile
PubChem CID112615925
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name4-[2-(2-aminopropyl)-6-fluorophenoxy]-2,2-dimethylbutanenitrile
SMILESCC(N)Cc1cccc(F)c1OCCC(C)(C)C#N
InChIInChI=1S/C15H21FN2O/c1-11(18)9-12-5-4-6-13(16)14(12)19-8-7-15(2,3)10-17/h4-6,11H,7-9,18H2,1-3H3
InChIKeyIUYYVZVGLOSLAO-UHFFFAOYSA-N
XLogP3.03
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(bromomethyl)-6-fluorophenoxy]-2,2-dimethylbutanenitrile
CID 112613920
4-[2-(2-aminopropyl)phenoxy]-2,2-dimethylbutanenitrile
CID 65252386
2-[2-(2-aminopropyl)-6-fluorophenoxy]acetonitrile
CID 112615861
1-[3-fluoro-2-(3-methoxypropoxy)phenyl]propan-2-amine
CID 112615799
5-[2-fluoro-6-[(propan-2-ylamino)methyl]phenoxy]-2,2-dimethylpentanenitrile
CID 115955004
1-(3-fluoro-2-octoxyphenyl)propan-2-amine
CID 115958573
1-[2-[3-(dimethylamino)propoxy]-3-fluorophenyl]propan-2-amine
CID 114526348
1-[3-fluoro-2-(2-phenylethoxy)phenyl]propan-2-amine
CID 115958617
1-(2-but-2-ynoxy-3-fluorophenyl)propan-2-amine
CID 112615813
6-[2-(ethylaminomethyl)-6-fluorophenoxy]-2,2-dimethylhexanenitrile
CID 106708883
1-[3-fluoro-2-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine
CID 115958668
5-[2-fluoro-6-(propylaminomethyl)phenoxy]-2,2-dimethylpentanenitrile
CID 115953409

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminopropyl)-6-fluorophenoxy]-2,2-dimethylbutanenitrile?
The IUPAC name of 4-[2-(2-aminopropyl)-6-fluorophenoxy]-2,2-dimethylbutanenitrile (CID 112615925) is 4-[2-(2-aminopropyl)-6-fluorophenoxy]-2,2-dimethylbutanenitrile.
What is the SMILES notation for 4-[2-(2-aminopropyl)-6-fluorophenoxy]-2,2-dimethylbutanenitrile?
The canonical SMILES for 4-[2-(2-aminopropyl)-6-fluorophenoxy]-2,2-dimethylbutanenitrile is CC(N)Cc1cccc(F)c1OCCC(C)(C)C#N.
What is the InChIKey of 4-[2-(2-aminopropyl)-6-fluorophenoxy]-2,2-dimethylbutanenitrile?
The InChIKey is IUYYVZVGLOSLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-11(18)9-12-5-4-6-13(16)14(12)19-8-7-15(2,3)10-17/h4-6,11H,7-9,18H2,1-3H3.
What are the key properties of 4-[2-(2-aminopropyl)-6-fluorophenoxy]-2,2-dimethylbutanenitrile?
4-[2-(2-aminopropyl)-6-fluorophenoxy]-2,2-dimethylbutanenitrile has a molecular weight of 264.34 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-aminopropyl)-6-fluorophenoxy]-2,2-dimethylbutanenitrile is sourced from PubChem (CID 112615925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).