2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]benzonitrile

C17H17FN2 — CID 51110440

IUPAC2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]benzonitrile
SMILESCCN(Cc1cccc(F)c1)Cc1ccccc1C#N
InChIInChI=1S/C17H17FN2/c1-2-20(12-14-6-5-9-17(18)10-14)13-16-8-4-3-7-15(16)11-19/h3-10H,2,12-13H2,1H3
InChIKeyAUBICZKWTAQWMU-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.72
Rot. Bonds5

About 2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]benzonitrile

2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]benzonitrile (PubChem CID 51110440) has the molecular formula C17H17FN2 and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]benzonitrile
PubChem CID51110440
Molecular FormulaC17H17FN2
Molecular Weight268.34 g/mol
Exact Mass268.14
IUPAC Name2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]benzonitrile
SMILESCCN(Cc1cccc(F)c1)Cc1ccccc1C#N
InChIInChI=1S/C17H17FN2/c1-2-20(12-14-6-5-9-17(18)10-14)13-16-8-4-3-7-15(16)11-19/h3-10H,2,12-13H2,1H3
InChIKeyAUBICZKWTAQWMU-UHFFFAOYSA-N
XLogP3.72
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[benzyl(ethyl)amino]methyl]-4-fluorobenzonitrile
CID 103760548
2-[ethyl-[(3-fluorophenyl)methyl]amino]acetonitrile
CID 60677065
2-[[(3-aminophenyl)methyl-propylamino]methyl]benzonitrile
CID 43459753
2-[[2-(dimethylamino)ethyl-[(3-ethylphenyl)methyl]amino]methyl]benzonitrile;ethane
CID 143170148
2-[[bis[(2-cyanophenyl)methyl]amino]methyl]benzonitrile
CID 123672442
2-[(2-cyanophenyl)methylsulfanyl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 8967931
2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]benzonitrile
CID 46989853
2-[[cyanomethyl(ethyl)amino]methyl]-4-fluorobenzonitrile
CID 103760707
3-[[ethyl(2-methylpropyl)amino]methyl]-2-fluorobenzonitrile
CID 103912046
2-[[ethyl(3-hydroxypropyl)amino]methyl]benzonitrile
CID 115582111
2-[[(3-methoxyphenyl)methyl-methylamino]methyl]benzonitrile
CID 60646313
2-fluoro-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]benzonitrile
CID 103912076

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]benzonitrile?
The IUPAC name of 2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]benzonitrile (CID 51110440) is 2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]benzonitrile.
What is the SMILES notation for 2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]benzonitrile?
The canonical SMILES for 2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]benzonitrile is CCN(Cc1cccc(F)c1)Cc1ccccc1C#N.
What is the InChIKey of 2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]benzonitrile?
The InChIKey is AUBICZKWTAQWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2/c1-2-20(12-14-6-5-9-17(18)10-14)13-16-8-4-3-7-15(16)11-19/h3-10H,2,12-13H2,1H3.
What are the key properties of 2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]benzonitrile?
2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]benzonitrile has a molecular weight of 268.34 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]benzonitrile is sourced from PubChem (CID 51110440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).