2-(cyclopropylamino)-4-(2-fluorophenoxy)butanenitrile

C13H15FN2O — CID 63028623

IUPAC2-(cyclopropylamino)-4-(2-fluorophenoxy)butanenitrile
SMILESN#CC(CCOc1ccccc1F)NC1CC1
InChIInChI=1S/C13H15FN2O/c14-12-3-1-2-4-13(12)17-8-7-11(9-15)16-10-5-6-10/h1-4,10-11,16H,5-8H2
InChIKeyGQGBFZUASBCVSI-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.24
Rot. Bonds6

About 2-(cyclopropylamino)-4-(2-fluorophenoxy)butanenitrile

2-(cyclopropylamino)-4-(2-fluorophenoxy)butanenitrile (PubChem CID 63028623) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(2-fluorophenoxy)butanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(2-fluorophenoxy)butanenitrile
PubChem CID63028623
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name2-(cyclopropylamino)-4-(2-fluorophenoxy)butanenitrile
SMILESN#CC(CCOc1ccccc1F)NC1CC1
InChIInChI=1S/C13H15FN2O/c14-12-3-1-2-4-13(12)17-8-7-11(9-15)16-10-5-6-10/h1-4,10-11,16H,5-8H2
InChIKeyGQGBFZUASBCVSI-UHFFFAOYSA-N
XLogP2.24
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-4-(2-fluoro-4-nitrophenoxy)butanenitrile
CID 63027890
4-(2-fluorophenoxy)-2-(propan-2-ylamino)butanenitrile
CID 63027275
2-(cyclopropylamino)-4-(N-ethyl-2-fluoroanilino)butanenitrile
CID 63030292
4-(2-fluorophenoxy)-2-(3-fluorophenyl)butanenitrile
CID 82137552
2-(cyclopropylamino)-3-phenylpropanenitrile
CID 43151723
2-cyano-N-cyclohexyl-6-(2-fluorophenoxy)-3-oxohexanamide
CID 60554785
2-(cyclopropylamino)-4-naphthalen-2-ylsulfanylbutanenitrile
CID 63054084
4-cyclopentyloxy-2-(cyclopropylamino)butanenitrile
CID 63030163
2-(cyclopropylamino)-4-(2,3-difluorophenoxy)butanamide
CID 63038366
2-(methylamino)-4-[2-(trifluoromethyl)phenoxy]butanenitrile
CID 55143143
2-(1,3-benzodioxol-5-yl)-4-(2-fluorophenoxy)butanenitrile
CID 82137622
1-fluoro-2-(2-iodoethoxy)benzene
CID 64787952

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(2-fluorophenoxy)butanenitrile?
The IUPAC name of 2-(cyclopropylamino)-4-(2-fluorophenoxy)butanenitrile (CID 63028623) is 2-(cyclopropylamino)-4-(2-fluorophenoxy)butanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-4-(2-fluorophenoxy)butanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-4-(2-fluorophenoxy)butanenitrile is N#CC(CCOc1ccccc1F)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-(2-fluorophenoxy)butanenitrile?
The InChIKey is GQGBFZUASBCVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c14-12-3-1-2-4-13(12)17-8-7-11(9-15)16-10-5-6-10/h1-4,10-11,16H,5-8H2.
What are the key properties of 2-(cyclopropylamino)-4-(2-fluorophenoxy)butanenitrile?
2-(cyclopropylamino)-4-(2-fluorophenoxy)butanenitrile has a molecular weight of 234.27 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(2-fluorophenoxy)butanenitrile is sourced from PubChem (CID 63028623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).