2-[(2-ethoxyphenyl)methylamino]-5-fluorobenzonitrile

C16H15FN2O — CID 79033707

IUPAC2-[(2-ethoxyphenyl)methylamino]-5-fluorobenzonitrile
SMILESCCOc1ccccc1CNc1ccc(F)cc1C#N
InChIInChI=1S/C16H15FN2O/c1-2-20-16-6-4-3-5-12(16)11-19-15-8-7-14(17)9-13(15)10-18/h3-9,19H,2,11H2,1H3
InChIKeyOLDYGIPUNJYMLM-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.71
Rot. Bonds5

About 2-[(2-ethoxyphenyl)methylamino]-5-fluorobenzonitrile

2-[(2-ethoxyphenyl)methylamino]-5-fluorobenzonitrile (PubChem CID 79033707) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-[(2-ethoxyphenyl)methylamino]-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(2-ethoxyphenyl)methylamino]-5-fluorobenzonitrile
PubChem CID79033707
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name2-[(2-ethoxyphenyl)methylamino]-5-fluorobenzonitrile
SMILESCCOc1ccccc1CNc1ccc(F)cc1C#N
InChIInChI=1S/C16H15FN2O/c1-2-20-16-6-4-3-5-12(16)11-19-15-8-7-14(17)9-13(15)10-18/h3-9,19H,2,11H2,1H3
InChIKeyOLDYGIPUNJYMLM-UHFFFAOYSA-N
XLogP3.71
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-[(2-hydroxyphenyl)methylamino]benzonitrile
CID 82015763
5-fluoro-2-[(2-hydroxy-3-methoxyphenyl)methylamino]benzonitrile
CID 82015186
2-ethoxy-4-fluoro-N-[(2-methylphenyl)methyl]aniline
CID 43730030
N-[(2-ethoxyphenyl)methyl]-3-fluoroaniline
CID 23793082
5-fluoro-2-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methylamino]benzonitrile
CID 133316804
N-[(2-aminophenyl)methyl]-2-ethoxy-4-fluoroaniline
CID 66418425
5-fluoro-2-[(2-methoxy-5-methylphenyl)methylamino]benzonitrile
CID 79034337
2-ethoxy-N-[(2-ethoxyphenyl)methyl]-4-methylaniline
CID 60935397
N-[(2-ethoxyphenyl)methyl]-2,5-difluoro-4-methylaniline
CID 103585263
4-fluoro-2-[(2-methoxyanilino)methyl]benzonitrile
CID 103761075
2-[(2,5-dimethylphenyl)methylamino]-5-fluorobenzonitrile
CID 82016482
N-[(2-ethoxyphenyl)methyl]-2,4-dimethylaniline
CID 29274401

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyphenyl)methylamino]-5-fluorobenzonitrile?
The IUPAC name of 2-[(2-ethoxyphenyl)methylamino]-5-fluorobenzonitrile (CID 79033707) is 2-[(2-ethoxyphenyl)methylamino]-5-fluorobenzonitrile.
What is the SMILES notation for 2-[(2-ethoxyphenyl)methylamino]-5-fluorobenzonitrile?
The canonical SMILES for 2-[(2-ethoxyphenyl)methylamino]-5-fluorobenzonitrile is CCOc1ccccc1CNc1ccc(F)cc1C#N.
What is the InChIKey of 2-[(2-ethoxyphenyl)methylamino]-5-fluorobenzonitrile?
The InChIKey is OLDYGIPUNJYMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-2-20-16-6-4-3-5-12(16)11-19-15-8-7-14(17)9-13(15)10-18/h3-9,19H,2,11H2,1H3.
What are the key properties of 2-[(2-ethoxyphenyl)methylamino]-5-fluorobenzonitrile?
2-[(2-ethoxyphenyl)methylamino]-5-fluorobenzonitrile has a molecular weight of 270.31 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyphenyl)methylamino]-5-fluorobenzonitrile is sourced from PubChem (CID 79033707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).