5-[[ethyl(2-hydroxyethyl)amino]methyl]-2-fluorobenzonitrile

C12H15FN2O — CID 103758364

IUPAC5-[[ethyl(2-hydroxyethyl)amino]methyl]-2-fluorobenzonitrile
SMILESCCN(CCO)Cc1ccc(F)c(C#N)c1
InChIInChI=1S/C12H15FN2O/c1-2-15(5-6-16)9-10-3-4-12(13)11(7-10)8-14/h3-4,7,16H,2,5-6,9H2,1H3
InChIKeyZOAXZZZPVMONNW-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.51
Rot. Bonds5

About 5-[[ethyl(2-hydroxyethyl)amino]methyl]-2-fluorobenzonitrile

5-[[ethyl(2-hydroxyethyl)amino]methyl]-2-fluorobenzonitrile (PubChem CID 103758364) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 5-[[ethyl(2-hydroxyethyl)amino]methyl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-[[ethyl(2-hydroxyethyl)amino]methyl]-2-fluorobenzonitrile
PubChem CID103758364
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name5-[[ethyl(2-hydroxyethyl)amino]methyl]-2-fluorobenzonitrile
SMILESCCN(CCO)Cc1ccc(F)c(C#N)c1
InChIInChI=1S/C12H15FN2O/c1-2-15(5-6-16)9-10-3-4-12(13)11(7-10)8-14/h3-4,7,16H,2,5-6,9H2,1H3
InChIKeyZOAXZZZPVMONNW-UHFFFAOYSA-N
XLogP1.51
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-[[ethyl(2-hydroxyethyl)amino]methyl]-2-fluorophenyl]prop-2-yn-1-ol
CID 54970221
5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-fluorobenzonitrile
CID 114012369
2-fluoro-5-(2-hydroxyethyl)benzonitrile
CID 83390737
2-[(3-cyano-4-fluorophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 103758312
3-[(3-chloro-4-fluorophenyl)methyl-ethylamino]propan-1-ol
CID 103887243
2-fluoro-5-[[2-hydroxypropyl(methyl)amino]methyl]benzonitrile
CID 103758717
2-[ethyl-[(4-ethylphenyl)methyl]amino]ethanol
CID 62021239
2-fluoro-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]benzonitrile
CID 113256156
2-[(3-chlorophenyl)methyl-ethylamino]ethanol
CID 60685456
1-[ethyl-[[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]methyl]amino]-2-methylpropan-2-ol
CID 79379712
2-[(3-cyano-4-fluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 107882941
5-[[2-cyanoethyl(propan-2-yl)amino]methyl]-2-fluorobenzonitrile
CID 103758555

Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(2-hydroxyethyl)amino]methyl]-2-fluorobenzonitrile?
The IUPAC name of 5-[[ethyl(2-hydroxyethyl)amino]methyl]-2-fluorobenzonitrile (CID 103758364) is 5-[[ethyl(2-hydroxyethyl)amino]methyl]-2-fluorobenzonitrile.
What is the SMILES notation for 5-[[ethyl(2-hydroxyethyl)amino]methyl]-2-fluorobenzonitrile?
The canonical SMILES for 5-[[ethyl(2-hydroxyethyl)amino]methyl]-2-fluorobenzonitrile is CCN(CCO)Cc1ccc(F)c(C#N)c1.
What is the InChIKey of 5-[[ethyl(2-hydroxyethyl)amino]methyl]-2-fluorobenzonitrile?
The InChIKey is ZOAXZZZPVMONNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-2-15(5-6-16)9-10-3-4-12(13)11(7-10)8-14/h3-4,7,16H,2,5-6,9H2,1H3.
What are the key properties of 5-[[ethyl(2-hydroxyethyl)amino]methyl]-2-fluorobenzonitrile?
5-[[ethyl(2-hydroxyethyl)amino]methyl]-2-fluorobenzonitrile has a molecular weight of 222.26 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(2-hydroxyethyl)amino]methyl]-2-fluorobenzonitrile is sourced from PubChem (CID 103758364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).