2-[4-fluoro-2-(methylaminomethyl)phenoxy]propanenitrile

C11H13FN2O — CID 107695075

IUPAC2-[4-fluoro-2-(methylaminomethyl)phenoxy]propanenitrile
SMILESCNCc1cc(F)ccc1OC(C)C#N
InChIInChI=1S/C11H13FN2O/c1-8(6-13)15-11-4-3-10(12)5-9(11)7-14-2/h3-5,8,14H,7H2,1-2H3
InChIKeyFIIFGHHIGWZKAT-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.84
Rot. Bonds4

About 2-[4-fluoro-2-(methylaminomethyl)phenoxy]propanenitrile

2-[4-fluoro-2-(methylaminomethyl)phenoxy]propanenitrile (PubChem CID 107695075) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-[4-fluoro-2-(methylaminomethyl)phenoxy]propanenitrile.

Molecular Properties

Compound Name2-[4-fluoro-2-(methylaminomethyl)phenoxy]propanenitrile
PubChem CID107695075
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name2-[4-fluoro-2-(methylaminomethyl)phenoxy]propanenitrile
SMILESCNCc1cc(F)ccc1OC(C)C#N
InChIInChI=1S/C11H13FN2O/c1-8(6-13)15-11-4-3-10(12)5-9(11)7-14-2/h3-5,8,14H,7H2,1-2H3
InChIKeyFIIFGHHIGWZKAT-UHFFFAOYSA-N
XLogP1.84
TPSA45.05 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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-fluoro-2-[(2-methylpropylamino)methyl]phenoxy]propanenitrile
CID 107696719
2-[2-(2-aminobutyl)-4-fluorophenoxy]propanenitrile
CID 107701489
2-[4-fluoro-2-(methylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 107695387
2-[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]propanenitrile
CID 63327073
N-butyl-2-[4-fluoro-2-(methylaminomethyl)phenoxy]propanamide
CID 107695175
1-[5-fluoro-2-(2-methoxyphenoxy)phenyl]-N-methylmethanamine
CID 43314262
4-fluoro-2-[[4-methyl-2-(methylaminomethyl)phenoxy]methyl]benzonitrile
CID 107902701
2-[(5-fluoro-2-methoxyphenyl)methylamino]acetonitrile
CID 115130950
1-[2-(difluoromethoxy)-5-methylphenyl]-N-methylmethanamine
CID 63323622
1-[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43589963
3-[4-fluoro-2-(methylaminomethyl)phenoxy]propane-1,2-diol
CID 107695240
1-[2-(3-chlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43314250

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-(methylaminomethyl)phenoxy]propanenitrile?
The IUPAC name of 2-[4-fluoro-2-(methylaminomethyl)phenoxy]propanenitrile (CID 107695075) is 2-[4-fluoro-2-(methylaminomethyl)phenoxy]propanenitrile.
What is the SMILES notation for 2-[4-fluoro-2-(methylaminomethyl)phenoxy]propanenitrile?
The canonical SMILES for 2-[4-fluoro-2-(methylaminomethyl)phenoxy]propanenitrile is CNCc1cc(F)ccc1OC(C)C#N.
What is the InChIKey of 2-[4-fluoro-2-(methylaminomethyl)phenoxy]propanenitrile?
The InChIKey is FIIFGHHIGWZKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-8(6-13)15-11-4-3-10(12)5-9(11)7-14-2/h3-5,8,14H,7H2,1-2H3.
What are the key properties of 2-[4-fluoro-2-(methylaminomethyl)phenoxy]propanenitrile?
2-[4-fluoro-2-(methylaminomethyl)phenoxy]propanenitrile has a molecular weight of 208.24 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-(methylaminomethyl)phenoxy]propanenitrile is sourced from PubChem (CID 107695075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).