2-[2-(2-aminopropyl)-6-fluorophenoxy]acetonitrile

C11H13FN2O — CID 112615861

IUPAC2-[2-(2-aminopropyl)-6-fluorophenoxy]acetonitrile
SMILESCC(N)Cc1cccc(F)c1OCC#N
InChIInChI=1S/C11H13FN2O/c1-8(14)7-9-3-2-4-10(12)11(9)15-6-5-13/h2-4,8H,6-7,14H2,1H3
InChIKeyNNPWFYQZKLSAIW-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.62
Rot. Bonds4

About 2-[2-(2-aminopropyl)-6-fluorophenoxy]acetonitrile

2-[2-(2-aminopropyl)-6-fluorophenoxy]acetonitrile (PubChem CID 112615861) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-[2-(2-aminopropyl)-6-fluorophenoxy]acetonitrile.

Molecular Properties

Compound Name2-[2-(2-aminopropyl)-6-fluorophenoxy]acetonitrile
PubChem CID112615861
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name2-[2-(2-aminopropyl)-6-fluorophenoxy]acetonitrile
SMILESCC(N)Cc1cccc(F)c1OCC#N
InChIInChI=1S/C11H13FN2O/c1-8(14)7-9-3-2-4-10(12)11(9)15-6-5-13/h2-4,8H,6-7,14H2,1H3
InChIKeyNNPWFYQZKLSAIW-UHFFFAOYSA-N
XLogP1.62
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-but-2-ynoxy-3-fluorophenyl)propan-2-amine
CID 112615813
2-[2-(2-aminopropyl)-6-bromophenoxy]acetonitrile
CID 61392513
4-[2-(2-aminopropyl)-6-fluorophenoxy]-2,2-dimethylbutanenitrile
CID 112615925
2-[2-(2-aminopropyl)phenoxy]acetonitrile
CID 60907829
1-[3-fluoro-2-(3-methoxypropoxy)phenyl]propan-2-amine
CID 112615799
1-[3-fluoro-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 115958647
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-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 115958685
1-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]propan-2-amine
CID 112615919
1-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 114857545

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminopropyl)-6-fluorophenoxy]acetonitrile?
The IUPAC name of 2-[2-(2-aminopropyl)-6-fluorophenoxy]acetonitrile (CID 112615861) is 2-[2-(2-aminopropyl)-6-fluorophenoxy]acetonitrile.
What is the SMILES notation for 2-[2-(2-aminopropyl)-6-fluorophenoxy]acetonitrile?
The canonical SMILES for 2-[2-(2-aminopropyl)-6-fluorophenoxy]acetonitrile is CC(N)Cc1cccc(F)c1OCC#N.
What is the InChIKey of 2-[2-(2-aminopropyl)-6-fluorophenoxy]acetonitrile?
The InChIKey is NNPWFYQZKLSAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-8(14)7-9-3-2-4-10(12)11(9)15-6-5-13/h2-4,8H,6-7,14H2,1H3.
What are the key properties of 2-[2-(2-aminopropyl)-6-fluorophenoxy]acetonitrile?
2-[2-(2-aminopropyl)-6-fluorophenoxy]acetonitrile has a molecular weight of 208.24 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminopropyl)-6-fluorophenoxy]acetonitrile is sourced from PubChem (CID 112615861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).